 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer00_STD_M11_augccpVDZ.in
 Output=31_naproxen_conformer00_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/31_naproxen/conformer00/Gau-28970.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/31_naproxen/conformer00/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     29012.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer00_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Sep 23 13:03:26 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer00_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 3.352380000000      0.081536000000     -0.094047000000
  C                                                 2.853162000000     -1.229651000000      0.086888000000
  C                                                 2.486454000000      1.151296000000     -0.114829000000
  C                                                 1.100546000000      0.960772000000      0.042252000000
  C                                                 0.590185000000     -0.359596000000      0.227036000000
  C                                                 1.505764000000     -1.433604000000      0.242412000000
  C                                                 0.178320000000      2.035716000000      0.022349000000
  C                                                -1.162617000000      1.813105000000      0.178068000000
  C                                                -1.675581000000      0.507253000000      0.370446000000
  C                                                -0.800954000000     -0.550815000000      0.386518000000
  C                                                -3.175000000000      0.316508000000      0.539158000000
  O                                                 4.675062000000      0.363691000000     -0.254438000000
  C                                                 5.607556000000     -0.703149000000     -0.244694000000
  H                                                 3.524663000000     -2.074808000000      0.103947000000
  H                                                 2.886450000000      2.147038000000     -0.255665000000
  H                                                 1.129072000000     -2.439742000000      0.380890000000
  H                                                 0.550726000000      3.042648000000     -0.120102000000
  H                                                -1.852677000000      2.647425000000      0.153954000000
  H                                                -1.168601000000     -1.561255000000      0.512106000000
  H                                                -3.627638000000      1.305010000000      0.609167000000
  C                                                -3.546747000000     -0.494005000000      1.785225000000
  C                                                -3.751553000000     -0.273210000000     -0.735630000000
  H                                                 6.583819000000     -0.246740000000     -0.388953000000
  H                                                 5.417122000000     -1.410440000000     -1.057092000000
  H                                                 5.597238000000     -1.237035000000      0.709988000000
  H                                                -3.163624000000      0.008881000000      2.673322000000
  H                                                -3.125429000000     -1.496647000000      1.749497000000
  H                                                -4.629967000000     -0.586055000000      1.879701000000
  O                                                -4.295658000000      0.357517000000     -1.603525000000
  O                                                -3.574263000000     -1.613892000000     -0.819614000000
  H                                                -3.933780000000     -1.889738000000     -1.677049000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          16          12           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           1           1           1           1           1           1           1
 AtZEff=   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12           1           1           1           1           1           1          16          16
 AtmWgt=  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146
 NucSpn=           0           0           1           1           1           1           1           1           0           0
 AtZEff=   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Sep 23 13:03:26 2021, MaxMem=  5368709120 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        3.352380    0.081536   -0.094047
      2          6           0        2.853162   -1.229651    0.086888
      3          6           0        2.486454    1.151296   -0.114829
      4          6           0        1.100546    0.960772    0.042252
      5          6           0        0.590185   -0.359596    0.227036
      6          6           0        1.505764   -1.433604    0.242412
      7          6           0        0.178320    2.035716    0.022349
      8          6           0       -1.162617    1.813105    0.178068
      9          6           0       -1.675581    0.507253    0.370446
     10          6           0       -0.800954   -0.550815    0.386518
     11          6           0       -3.175000    0.316508    0.539158
     12          8           0        4.675062    0.363691   -0.254438
     13          6           0        5.607556   -0.703149   -0.244694
     14          1           0        3.524663   -2.074808    0.103947
     15          1           0        2.886450    2.147038   -0.255665
     16          1           0        1.129072   -2.439742    0.380890
     17          1           0        0.550726    3.042648   -0.120102
     18          1           0       -1.852677    2.647425    0.153954
     19          1           0       -1.168601   -1.561255    0.512106
     20          1           0       -3.627638    1.305010    0.609167
     21          6           0       -3.546747   -0.494005    1.785225
     22          6           0       -3.751553   -0.273210   -0.735630
     23          1           0        6.583819   -0.246740   -0.388953
     24          1           0        5.417122   -1.410440   -1.057092
     25          1           0        5.597238   -1.237035    0.709988
     26          1           0       -3.163624    0.008881    2.673322
     27          1           0       -3.125429   -1.496647    1.749497
     28          1           0       -4.629967   -0.586055    1.879701
     29          8           0       -4.295658    0.357517   -1.603525
     30          8           0       -3.574263   -1.613892   -0.819614
     31          1           0       -3.933780   -1.889738   -1.677049
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.414626   0.000000
     3  C    1.376461   2.417452   0.000000
     4  C    2.421237   2.805639   1.407734   0.000000
     5  C    2.815566   2.428518   2.448572   1.427580   0.000000
     6  C    2.412228   1.371592   2.787666   2.436658   1.411387
     7  C    3.729212   4.221560   2.475581   1.416475   2.439067
     8  C    4.843302   5.039163   3.720148   2.422153   2.792014
     9  C    5.067285   4.858678   4.239436   2.832008   2.430162
    10  C    4.228592   3.728694   3.735717   2.453389   1.413247
    11  C    6.562229   6.239703   5.759916   4.352274   3.838119
    12  O    1.361919   2.444292   2.330197   3.636165   4.176264
    13  C    2.392539   2.823798   3.632783   4.812911   5.051195
    14  H    2.172257   1.079581   3.396099   3.885215   3.401215
    15  H    2.123561   3.394183   1.082282   2.164586   3.433518
    16  H    3.394924   2.126792   3.870888   3.417453   2.154316
    17  H    4.076534   4.857633   2.706341   2.159368   3.420135
    18  H    5.808434   6.097634   4.597685   3.402764   3.874931
    19  H    4.848242   4.057752   4.594606   3.424969   2.149088
    20  H    7.121239   6.978399   6.158727   4.774476   4.550491
    21  C    7.173623   6.662159   6.535804   5.172201   4.422694
    22  C    7.141662   6.724104   6.428635   5.066624   4.448019
    23  H    3.261431   3.887202   4.337977   5.631190   6.026261
    24  H    2.723345   2.813408   4.004893   5.046190   5.104173
    25  H    2.724792   2.813941   4.007671   5.049403   5.106243
    26  H    7.079683   6.665232   6.403302   5.100174   4.495684
    27  H    6.917465   6.211208   6.479239   5.178075   4.173315
    28  H    8.249801   7.721762   7.592100   6.213507   5.480198
    29  O    7.800460   7.515466   6.988801   5.673757   5.266561
    30  O    7.167936   6.502398   6.698901   5.406066   4.473406
    31  H    7.712324   7.043420   7.273776   6.035382   5.141316
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.721118   0.000000
     8  C    4.203037   1.368180   0.000000
     9  C    3.728844   2.427822   1.416118   0.000000
    10  C    2.474072   2.789577   2.400494   1.372858   0.000000
    11  C    5.006047   3.803620   2.533747   1.520889   2.532122
    12  O    3.677170   4.805514   6.030453   6.382927   5.588729
    13  C    4.194703   6.086813   7.235019   7.408614   6.441322
    14  H    2.122797   5.301045   6.090317   5.812108   4.594928
    15  H    3.869803   2.724638   4.085900   4.888050   4.613866
    16  H    1.083230   4.589358   4.835254   4.068288   2.700570
    17  H    4.591334   1.083001   2.129842   3.409591   3.872555
    18  H    5.285996   2.125196   1.082984   2.158372   3.374751
    19  H    2.690959   3.871984   3.390859   2.134437   1.082555
    20  H    5.829780   3.919643   2.553495   2.122247   3.388776
    21  C    5.365723   4.835633   3.686433   2.550565   3.082043
    22  C    5.471971   4.620560   3.448209   2.478343   3.168961
    23  H    5.252991   6.812429   8.035655   8.328438   7.431601
    24  H    4.121646   6.362879   7.430332   7.484774   6.441074
    25  H    4.122793   6.367764   7.435182   7.486770   6.443011
    26  H    5.458321   4.722744   3.672267   2.786734   3.335407
    27  H    4.870650   5.135697   4.156498   2.831864   2.855783
    28  H    6.406735   5.782998   4.546871   3.493075   4.110009
    29  O    6.346030   5.047405   3.886998   3.283868   4.122899
    30  O    5.192983   5.301926   4.307634   3.085529   3.205640
    31  H    5.786279   5.933507   4.983157   3.877791   3.983167
                   11         12         13         14         15
    11  C    0.000000
    12  O    7.890215   0.000000
    13  C    8.876227   1.416964   0.000000
    14  H    7.126941   2.719951   2.518222   0.000000
    15  H    6.381517   2.525759   3.940572   4.284929   0.000000
    16  H    5.113414   4.564748   4.843958   2.439002   4.952992
    17  H    4.663421   4.919858   6.294287   5.923078   2.505215
    18  H    2.707415   6.927741   8.187817   7.156659   4.783043
    19  H    2.748156   6.200113   6.872074   4.738888   5.548364
    20  H    1.089458   8.400400   9.489499   7.926779   6.624975
    21  C    1.532257   8.514341   9.378997   7.438446   7.247507
    22  C    1.518310   8.464339   9.381833   7.542809   7.081741
    23  H    9.819022   2.008500   1.087294   3.597668   4.406640
    24  H    8.908138   2.083854   1.093854   2.317498   4.438720
    25  H    8.910378   2.083951   1.093873   2.316186   4.442162
    26  H    2.156251   8.375122   9.271214   7.461677   7.053657
    27  H    2.180575   8.265850   8.992856   6.875015   7.310253
    28  H    2.174535   9.593755  10.456273   8.477481   8.278050
    29  O    2.418398   9.071598  10.052118   8.365948   7.523416
    30  O    2.394184   8.501860   9.244771   7.173574   7.496896
    31  H    3.217894   9.011877   9.720943   7.670370   8.051797
                   16         17         18         19         20
    16  H    0.000000
    17  H    5.535529   0.000000
    18  H    5.900983   2.451052   0.000000
    19  H    2.463383   4.954967   4.278927   0.000000
    20  H    6.058182   4.583661   2.271516   3.777798   0.000000
    21  C    5.255600   5.738246   3.924220   2.900937   2.150840
    22  C    5.455362   5.466571   3.595441   3.144447   2.077164
    23  H    5.929265   6.876814   8.935626   7.914536  10.376802
    24  H    4.638386   6.662564   8.413256   6.771770   9.589461
    25  H    4.638892   6.668734   8.420180   6.776493   9.569247
    26  H    5.447774   5.550077   3.876559   3.334111   2.481128
    27  H    4.567635   6.133084   4.619414   2.316136   3.066243
    28  H    6.232906   6.633723   4.598580   3.847387   2.488985
    29  O    6.417964   5.735670   3.781609   4.235099   2.497999
    30  O    4.923880   6.260049   4.697927   2.750174   3.250270
    31  H    5.492730   6.845678   5.316899   3.542106   3.940421
                   21         22         23         24         25
    21  C    0.000000
    22  C    2.538780   0.000000
    23  H   10.364196  10.341218   0.000000
    24  H    9.448257   9.244524   1.778142   0.000000
    25  H    9.236920   9.508873   1.778116   1.784680   0.000000
    26  H    1.090135   3.470762  10.220348   9.463597   9.064198
    27  H    1.088153   2.839839  10.020216   8.992194   8.788225
    28  H    1.091222   2.776588  11.446000  10.499922  10.314443
    29  O    3.573455   1.202958  10.963728   9.887485  10.284179
    30  O    2.835505   1.354959  10.258714   8.996821   9.305812
    31  H    3.753026   1.879532  10.722804   9.383680   9.847044
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.766784   0.000000
    28  H    1.770295   1.763453   0.000000
    29  O    4.437845   4.006260   3.624218   0.000000
    30  O    3.873321   2.610657   3.075266   2.240844   0.000000
    31  H    4.808703   3.542481   3.851589   2.277392   0.969814
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.46D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        3.352380    0.081536   -0.094047
      2          6           0        2.853162   -1.229651    0.086888
      3          6           0        2.486454    1.151296   -0.114829
      4          6           0        1.100546    0.960772    0.042252
      5          6           0        0.590185   -0.359596    0.227036
      6          6           0        1.505764   -1.433604    0.242412
      7          6           0        0.178320    2.035716    0.022349
      8          6           0       -1.162617    1.813105    0.178068
      9          6           0       -1.675581    0.507253    0.370446
     10          6           0       -0.800954   -0.550815    0.386518
     11          6           0       -3.175000    0.316508    0.539158
     12          8           0        4.675062    0.363691   -0.254438
     13          6           0        5.607556   -0.703149   -0.244694
     14          1           0        3.524663   -2.074808    0.103947
     15          1           0        2.886450    2.147038   -0.255665
     16          1           0        1.129072   -2.439742    0.380890
     17          1           0        0.550726    3.042648   -0.120102
     18          1           0       -1.852677    2.647425    0.153954
     19          1           0       -1.168601   -1.561255    0.512106
     20          1           0       -3.627638    1.305010    0.609167
     21          6           0       -3.546747   -0.494005    1.785225
     22          6           0       -3.751553   -0.273210   -0.735630
     23          1           0        6.583819   -0.246740   -0.388953
     24          1           0        5.417122   -1.410440   -1.057092
     25          1           0        5.597238   -1.237035    0.709988
     26          1           0       -3.163624    0.008881    2.673322
     27          1           0       -3.125429   -1.496647    1.749497
     28          1           0       -4.629967   -0.586055    1.879701
     29          8           0       -4.295658    0.357517   -1.603525
     30          8           0       -3.574263   -1.613892   -0.819614
     31          1           0       -3.933780   -1.889738   -1.677049
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.2770957           0.2099576           0.1981845
 Leave Link  202 at Thu Sep 23 13:03:27 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      14     15     16     17     18     19     20     23     24     25
 Centers:      26     27     28     31
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     13     21     22
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      12     29     30
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  51 primitive shells out of 588 were deleted.
 There are   551 symmetry adapted cartesian basis functions of A   symmetry.
 There are   517 symmetry adapted basis functions of A   symmetry.
   517 basis functions,   967 primitive gaussians,   551 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1132.7082601997 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Sep 23 13:03:29 2021, MaxMem=  5368709120 cpu:              17.7 elap:               2.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   517 RedAO= T EigKep=  1.11D-06  NBF=   517
 NBsUse=   514 1.00D-06 EigRej=  8.80D-07 NBFU=   514
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   551   551   551   551   551 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Thu Sep 23 13:03:31 2021, MaxMem=  5368709120 cpu:              11.0 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Sep 23 13:03:32 2021, MaxMem=  5368709120 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer00_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Sep 23 13:03:34 2021, MaxMem=  5368709120 cpu:              11.6 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368092331 LenY=  5367788179
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -767.257095941538    
 DIIS: error= 3.21D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -767.257095941538     IErMin= 1 ErrMin= 3.21D-03
 ErrMax= 3.21D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.12D-02 BMatP= 2.12D-02
 IDIUse=3 WtCom= 9.68D-01 WtEn= 3.21D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.312 Goal=   None    Shift=    0.000
 GapD=    0.312 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=9.35D-02 MaxDP=7.34D+00              OVMax= 2.00D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.97D-02    CP:  1.72D+00
 E= -767.277052007306     Delta-E=       -0.019956065769 Rises=F Damp=F
 DIIS: error= 1.05D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -767.277052007306     IErMin= 2 ErrMin= 1.05D-03
 ErrMax= 1.05D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.93D-04 BMatP= 2.12D-02
 IDIUse=3 WtCom= 9.90D-01 WtEn= 1.05D-02
 Coeff-Com:  0.631D-02 0.994D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.624D-02 0.994D+00
 Gap=     0.282 Goal=   None    Shift=    0.000
 RMSDP=1.71D-02 MaxDP=1.39D+00 DE=-2.00D-02 OVMax= 8.91D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.18D-03    CP:  1.85D+00  1.18D+00
 E= -767.277548196154     Delta-E=       -0.000496188848 Rises=F Damp=F
 DIIS: error= 9.63D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -767.277548196154     IErMin= 3 ErrMin= 9.63D-04
 ErrMax= 9.63D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.23D-04 BMatP= 9.93D-04
 IDIUse=3 WtCom= 9.90D-01 WtEn= 9.63D-03
 Coeff-Com: -0.462D-01 0.508D+00 0.538D+00
 Coeff-En:   0.000D+00 0.246D+00 0.754D+00
 Coeff:     -0.458D-01 0.505D+00 0.540D+00
 Gap=     0.282 Goal=   None    Shift=    0.000
 RMSDP=1.98D-03 MaxDP=1.69D-01 DE=-4.96D-04 OVMax= 3.99D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.49D-04    CP:  1.87D+00  1.20D+00  1.12D+00
 E= -767.278164611588     Delta-E=       -0.000616415433 Rises=F Damp=F
 DIIS: error= 1.10D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -767.278164611588     IErMin= 4 ErrMin= 1.10D-04
 ErrMax= 1.10D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.83D-05 BMatP= 9.23D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.10D-03
 Coeff-Com: -0.805D-02 0.148D-01 0.101D+00 0.892D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.805D-02 0.148D-01 0.101D+00 0.893D+00
 Gap=     0.282 Goal=   None    Shift=    0.000
 RMSDP=4.51D-04 MaxDP=3.53D-02 DE=-6.16D-04 OVMax= 1.59D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.14D-04    CP:  1.87D+00  1.20D+00  1.17D+00  1.47D+00
 E= -767.278186678471     Delta-E=       -0.000022066883 Rises=F Damp=F
 DIIS: error= 5.30D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -767.278186678471     IErMin= 5 ErrMin= 5.30D-05
 ErrMax= 5.30D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.80D-06 BMatP= 1.83D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.157D-02-0.515D-01-0.192D-01 0.431D+00 0.638D+00
 Coeff:      0.157D-02-0.515D-01-0.192D-01 0.431D+00 0.638D+00
 Gap=     0.282 Goal=   None    Shift=    0.000
 RMSDP=9.02D-05 MaxDP=5.59D-03 DE=-2.21D-05 OVMax= 6.30D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.36D-05    CP:  1.87D+00  1.20D+00  1.18D+00  1.60D+00  1.25D+00
 E= -767.278193376488     Delta-E=       -0.000006698018 Rises=F Damp=F
 DIIS: error= 1.80D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -767.278193376488     IErMin= 6 ErrMin= 1.80D-05
 ErrMax= 1.80D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.50D-07 BMatP= 6.80D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.175D-02-0.212D-01-0.241D-01 0.346D-01 0.236D+00 0.773D+00
 Coeff:      0.175D-02-0.212D-01-0.241D-01 0.346D-01 0.236D+00 0.773D+00
 Gap=     0.282 Goal=   None    Shift=    0.000
 RMSDP=6.42D-05 MaxDP=5.67D-03 DE=-6.70D-06 OVMax= 4.09D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.82D-05    CP:  1.87D+00  1.20D+00  1.18D+00  1.64D+00  1.36D+00
                    CP:  1.43D+00
 E= -767.278194403042     Delta-E=       -0.000001026554 Rises=F Damp=F
 DIIS: error= 9.18D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -767.278194403042     IErMin= 7 ErrMin= 9.18D-06
 ErrMax= 9.18D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.43D-08 BMatP= 6.50D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.326D-03 0.144D-02-0.481D-02-0.571D-01-0.267D-01 0.237D+00
 Coeff-Com:  0.850D+00
 Coeff:      0.326D-03 0.144D-02-0.481D-02-0.571D-01-0.267D-01 0.237D+00
 Coeff:      0.850D+00
 Gap=     0.282 Goal=   None    Shift=    0.000
 RMSDP=3.52D-05 MaxDP=2.54D-03 DE=-1.03D-06 OVMax= 2.29D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.11D-06    CP:  1.87D+00  1.20D+00  1.18D+00  1.64D+00  1.40D+00
                    CP:  1.61D+00  1.56D+00
 E= -767.278194622183     Delta-E=       -0.000000219141 Rises=F Damp=F
 DIIS: error= 3.81D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -767.278194622183     IErMin= 8 ErrMin= 3.81D-06
 ErrMax= 3.81D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.43D-08 BMatP= 8.43D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.205D-03 0.391D-02 0.290D-02-0.216D-01-0.460D-01-0.629D-01
 Coeff-Com:  0.242D+00 0.882D+00
 Coeff:     -0.205D-03 0.391D-02 0.290D-02-0.216D-01-0.460D-01-0.629D-01
 Coeff:      0.242D+00 0.882D+00
 Gap=     0.282 Goal=   None    Shift=    0.000
 RMSDP=1.16D-05 MaxDP=5.59D-04 DE=-2.19D-07 OVMax= 1.15D-04

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.50D-06    CP:  1.87D+00  1.20D+00  1.18D+00  1.63D+00  1.40D+00
                    CP:  1.71D+00  1.79D+00  1.39D+00
 E= -767.278194661538     Delta-E=       -0.000000039355 Rises=F Damp=F
 DIIS: error= 1.71D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -767.278194661538     IErMin= 9 ErrMin= 1.71D-06
 ErrMax= 1.71D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.89D-09 BMatP= 1.43D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.115D-03 0.113D-02 0.185D-02 0.741D-03-0.129D-01-0.623D-01
 Coeff-Com: -0.434D-01 0.347D+00 0.768D+00
 Coeff:     -0.115D-03 0.113D-02 0.185D-02 0.741D-03-0.129D-01-0.623D-01
 Coeff:     -0.434D-01 0.347D+00 0.768D+00
 Gap=     0.282 Goal=   None    Shift=    0.000
 RMSDP=3.62D-06 MaxDP=2.24D-04 DE=-3.94D-08 OVMax= 4.02D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.17D-06    CP:  1.87D+00  1.20D+00  1.18D+00  1.63D+00  1.40D+00
                    CP:  1.74D+00  1.87D+00  1.56D+00  1.37D+00
 E= -767.278194667571     Delta-E=       -0.000000006033 Rises=F Damp=F
 DIIS: error= 4.19D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -767.278194667571     IErMin=10 ErrMin= 4.19D-07
 ErrMax= 4.19D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.55D-10 BMatP= 2.89D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.256D-05-0.345D-03 0.225D-04 0.367D-02 0.447D-02-0.386D-02
 Coeff-Com: -0.474D-01-0.710D-01 0.149D+00 0.965D+00
 Coeff:      0.256D-05-0.345D-03 0.225D-04 0.367D-02 0.447D-02-0.386D-02
 Coeff:     -0.474D-01-0.710D-01 0.149D+00 0.965D+00
 Gap=     0.282 Goal=   None    Shift=    0.000
 RMSDP=2.58D-06 MaxDP=2.63D-04 DE=-6.03D-09 OVMax= 1.90D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.33D-07    CP:  1.87D+00  1.20D+00  1.18D+00  1.63D+00  1.39D+00
                    CP:  1.75D+00  1.90D+00  1.63D+00  1.55D+00  1.48D+00
 E= -767.278194668404     Delta-E=       -0.000000000833 Rises=F Damp=F
 DIIS: error= 1.94D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -767.278194668404     IErMin=11 ErrMin= 1.94D-07
 ErrMax= 1.94D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.71D-11 BMatP= 2.55D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.132D-04-0.233D-03-0.195D-03 0.111D-02 0.276D-02 0.566D-02
 Coeff-Com: -0.101D-01-0.587D-01-0.382D-01 0.293D+00 0.804D+00
 Coeff:      0.132D-04-0.233D-03-0.195D-03 0.111D-02 0.276D-02 0.566D-02
 Coeff:     -0.101D-01-0.587D-01-0.382D-01 0.293D+00 0.804D+00
 Gap=     0.282 Goal=   None    Shift=    0.000
 RMSDP=5.36D-07 MaxDP=6.18D-05 DE=-8.33D-10 OVMax= 5.07D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.50D-07    CP:  1.87D+00  1.20D+00  1.18D+00  1.63D+00  1.39D+00
                    CP:  1.75D+00  1.90D+00  1.63D+00  1.61D+00  1.60D+00
                    CP:  1.30D+00
 E= -767.278194668490     Delta-E=       -0.000000000086 Rises=F Damp=F
 DIIS: error= 7.04D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -767.278194668490     IErMin=12 ErrMin= 7.04D-08
 ErrMax= 7.04D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.10D-12 BMatP= 3.71D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.320D-05-0.115D-04-0.599D-04-0.256D-03 0.384D-04 0.224D-02
 Coeff-Com:  0.458D-02-0.453D-02-0.343D-01-0.617D-01 0.234D+00 0.860D+00
 Coeff:      0.320D-05-0.115D-04-0.599D-04-0.256D-03 0.384D-04 0.224D-02
 Coeff:      0.458D-02-0.453D-02-0.343D-01-0.617D-01 0.234D+00 0.860D+00
 Gap=     0.282 Goal=   None    Shift=    0.000
 RMSDP=2.36D-07 MaxDP=1.94D-05 DE=-8.62D-11 OVMax= 2.81D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.28D-07    CP:  1.87D+00  1.20D+00  1.18D+00  1.63D+00  1.39D+00
                    CP:  1.75D+00  1.90D+00  1.62D+00  1.61D+00  1.65D+00
                    CP:  1.44D+00  1.33D+00
 E= -767.278194668583     Delta-E=       -0.000000000093 Rises=F Damp=F
 DIIS: error= 4.25D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -767.278194668583     IErMin=13 ErrMin= 4.25D-08
 ErrMax= 4.25D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-12 BMatP= 6.10D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.155D-05 0.376D-04 0.187D-04-0.255D-03-0.469D-03-0.423D-03
 Coeff-Com:  0.271D-02 0.895D-02-0.254D-02-0.641D-01-0.879D-01 0.204D+00
 Coeff-Com:  0.940D+00
 Coeff:     -0.155D-05 0.376D-04 0.187D-04-0.255D-03-0.469D-03-0.423D-03
 Coeff:      0.271D-02 0.895D-02-0.254D-02-0.641D-01-0.879D-01 0.204D+00
 Coeff:      0.940D+00
 Gap=     0.282 Goal=   None    Shift=    0.000
 RMSDP=1.39D-07 MaxDP=1.21D-05 DE=-9.35D-11 OVMax= 1.89D-06

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  5.08D-08    CP:  1.87D+00  1.20D+00  1.18D+00  1.63D+00  1.39D+00
                    CP:  1.75D+00  1.90D+00  1.62D+00  1.61D+00  1.65D+00
                    CP:  1.49D+00  1.61D+00  1.43D+00
 E= -767.278194668588     Delta-E=       -0.000000000005 Rises=F Damp=F
 DIIS: error= 1.91D-08 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -767.278194668588     IErMin=14 ErrMin= 1.91D-08
 ErrMax= 1.91D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.03D-13 BMatP= 1.26D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.120D-05 0.130D-04 0.202D-04-0.626D-05-0.141D-03-0.674D-03
 Coeff-Com: -0.386D-03 0.355D-02 0.783D-02-0.230D-02-0.820D-01-0.153D+00
 Coeff-Com:  0.253D+00 0.974D+00
 Coeff:     -0.120D-05 0.130D-04 0.202D-04-0.626D-05-0.141D-03-0.674D-03
 Coeff:     -0.386D-03 0.355D-02 0.783D-02-0.230D-02-0.820D-01-0.153D+00
 Coeff:      0.253D+00 0.974D+00
 Gap=     0.282 Goal=   None    Shift=    0.000
 RMSDP=7.18D-08 MaxDP=3.05D-06 DE=-4.55D-12 OVMax= 1.17D-06

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  2.77D-08    CP:  1.87D+00  1.20D+00  1.18D+00  1.63D+00  1.39D+00
                    CP:  1.75D+00  1.90D+00  1.62D+00  1.61D+00  1.64D+00
                    CP:  1.49D+00  1.74D+00  1.75D+00  1.60D+00
 E= -767.278194668519     Delta-E=        0.000000000069 Rises=F Damp=F
 DIIS: error= 9.75D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=14 EnMin= -767.278194668588     IErMin=15 ErrMin= 9.75D-09
 ErrMax= 9.75D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.44D-14 BMatP= 3.03D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.177D-06-0.699D-05-0.642D-06 0.633D-04 0.892D-04-0.297D-04
 Coeff-Com: -0.733D-03-0.157D-02 0.238D-02 0.157D-01 0.594D-02-0.810D-01
 Coeff-Com: -0.193D+00 0.200D+00 0.105D+01
 Coeff:      0.177D-06-0.699D-05-0.642D-06 0.633D-04 0.892D-04-0.297D-04
 Coeff:     -0.733D-03-0.157D-02 0.238D-02 0.157D-01 0.594D-02-0.810D-01
 Coeff:     -0.193D+00 0.200D+00 0.105D+01
 Gap=     0.282 Goal=   None    Shift=    0.000
 RMSDP=4.33D-08 MaxDP=2.73D-06 DE= 6.93D-11 OVMax= 5.97D-07

 Cycle  16  Pass 1  IDiag  1:
 RMSU=  1.40D-08    CP:  1.87D+00  1.20D+00  1.18D+00  1.63D+00  1.39D+00
                    CP:  1.75D+00  1.90D+00  1.62D+00  1.61D+00  1.64D+00
                    CP:  1.49D+00  1.77D+00  1.87D+00  2.00D+00  1.46D+00
 E= -767.278194668445     Delta-E=        0.000000000074 Rises=F Damp=F
 DIIS: error= 2.11D-09 at cycle  16 NSaved=  16.
 NSaved=16 IEnMin=14 EnMin= -767.278194668588     IErMin=16 ErrMin= 2.11D-09
 ErrMax= 2.11D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.07D-15 BMatP= 5.44D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.187D-06-0.335D-05-0.261D-05 0.176D-04 0.418D-04 0.701D-04
 Coeff-Com: -0.140D-03-0.849D-03-0.239D-03 0.428D-02 0.114D-01-0.147D-02
 Coeff-Com: -0.804D-01-0.684D-01 0.269D+00 0.866D+00
 Coeff:      0.187D-06-0.335D-05-0.261D-05 0.176D-04 0.418D-04 0.701D-04
 Coeff:     -0.140D-03-0.849D-03-0.239D-03 0.428D-02 0.114D-01-0.147D-02
 Coeff:     -0.804D-01-0.684D-01 0.269D+00 0.866D+00
 Gap=     0.282 Goal=   None    Shift=    0.000
 RMSDP=1.20D-08 MaxDP=1.05D-06 DE= 7.37D-11 OVMax= 1.25D-07

 Cycle  17  Pass 1  IDiag  1:
 RMSU=  3.16D-09    CP:  1.87D+00  1.20D+00  1.18D+00  1.63D+00  1.39D+00
                    CP:  1.75D+00  1.90D+00  1.62D+00  1.61D+00  1.64D+00
                    CP:  1.49D+00  1.78D+00  1.88D+00  2.10D+00  1.62D+00
                    CP:  1.34D+00
 E= -767.278194668508     Delta-E=       -0.000000000063 Rises=F Damp=F
 DIIS: error= 6.30D-10 at cycle  17 NSaved=  17.
 NSaved=17 IEnMin=14 EnMin= -767.278194668588     IErMin=17 ErrMin= 6.30D-10
 ErrMax= 6.30D-10  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.12D-16 BMatP= 6.07D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 17 BigCof=    0.00 CofMax=   10.00 Det=-3.93D-15
 Inversion failed.  Reducing to 16 matrices.
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-4.21D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.477D-06-0.259D-05 0.589D-06 0.148D-04 0.465D-04-0.189D-04
 Coeff-Com: -0.281D-03-0.874D-03 0.160D-02 0.880D-02 0.547D-02-0.376D-01
 Coeff-Com: -0.637D-01 0.172D+00 0.915D+00
 Coeff:     -0.477D-06-0.259D-05 0.589D-06 0.148D-04 0.465D-04-0.189D-04
 Coeff:     -0.281D-03-0.874D-03 0.160D-02 0.880D-02 0.547D-02-0.376D-01
 Coeff:     -0.637D-01 0.172D+00 0.915D+00
 Gap=     0.282 Goal=   None    Shift=    0.000
 RMSDP=3.26D-09 MaxDP=3.70D-07 DE=-6.34D-11 OVMax= 3.53D-08

 SCF Done:  E(RM11) =  -767.278194669     A.U. after   17 cycles
            NFock= 17  Conv=0.33D-08     -V/T= 2.0063
 KE= 7.624703174558D+02 PE=-4.052838056494D+03 EE= 1.390381284170D+03
 Leave Link  502 at Thu Sep 23 13:42:50 2021, MaxMem=  5368709120 cpu:           18834.9 elap:            2355.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   514
 NBasis=   517 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    514 NOA=    61 NOB=    61 NVA=   453 NVB=   453

 **** Warning!!: The largest alpha MO coefficient is  0.13312655D+03

 Leave Link  801 at Thu Sep 23 13:42:50 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9624 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.61D-13 8.33D-09 XBig12= 1.00D+00 4.03D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.61D-13 8.33D-09 XBig12= 2.12D-01 8.09D-02.
     11 vectors produced by pass  2 Test12= 4.61D-13 8.33D-09 XBig12= 4.69D-02 9.36D-02.
     11 vectors produced by pass  3 Test12= 4.61D-13 8.33D-09 XBig12= 6.19D-03 2.89D-02.
     11 vectors produced by pass  4 Test12= 4.61D-13 8.33D-09 XBig12= 1.20D-03 8.41D-03.
     11 vectors produced by pass  5 Test12= 4.61D-13 8.33D-09 XBig12= 1.52D-04 2.33D-03.
     11 vectors produced by pass  6 Test12= 4.61D-13 8.33D-09 XBig12= 1.11D-05 4.13D-04.
     11 vectors produced by pass  7 Test12= 4.61D-13 8.33D-09 XBig12= 6.62D-07 9.99D-05.
     11 vectors produced by pass  8 Test12= 4.61D-13 8.33D-09 XBig12= 4.05D-08 2.71D-05.
     11 vectors produced by pass  9 Test12= 4.61D-13 8.33D-09 XBig12= 1.35D-09 5.17D-06.
     11 vectors produced by pass 10 Test12= 4.61D-13 8.33D-09 XBig12= 4.31D-11 6.99D-07.
      8 vectors produced by pass 11 Test12= 4.61D-13 8.33D-09 XBig12= 1.59D-12 9.38D-08.
      6 vectors produced by pass 12 Test12= 4.61D-13 8.33D-09 XBig12= 1.04D-13 2.64D-08.
      1 vectors produced by pass 13 Test12= 4.61D-13 8.33D-09 XBig12= 6.84D-14 2.25D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.40D-14
 Solved reduced A of dimension   136 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.292286D+03
      2 -0.192868D+02  0.182626D+03
      3 -0.804738D+01 -0.507257D+01  0.123916D+03
 Isotropic polarizability for W=    0.088559      199.61 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.425177D+03 -0.109837D+03 -0.896287D+02
      2  -0.183398D+03  0.924300D+02  0.677682D+01
      3  -0.241779D+03  0.174069D+02  0.828518D+02
      4  -0.584199D+02  0.900746D+02 -0.360932D+01
      5  -0.612210D+01  0.232268D+01 -0.801176D+02
      6  -0.305265D+01  0.219773D+02 -0.199469D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.116997D+02  0.209767D+02  0.299655D+01
      2  -0.798507D+02 -0.165018D+01 -0.230156D+02
      3   0.101894D+03 -0.448302D+02 -0.566322D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.593200D+01  0.152005D+02  0.373538D+02
      2  -0.835066D+02 -0.556674D+00  0.161661D+03
      3   0.514170D+02 -0.273473D+03 -0.537533D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.217370D+01  0.618024D+01 -0.151262D+02
      2   0.618024D+01  0.287906D+01  0.298499D+01
      3  -0.151262D+02  0.298499D+01  0.368092D+01
 OR G Eigenvalues:   -16.9086     4.9141    16.3808  Iso=    -1.4621
 Eigenvectors:
   (1)   0.740647  -0.320413   0.590573
   (2)   0.159932   0.937777   0.308214
   (3)  -0.652582  -0.133827   0.745806
 w=    0.088559 a.u., Optical Rotation Beta=     -1.4621 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =     -321.98 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  133903 ScalPx= 7.03D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.18D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.68D-14 2.78D-09 XBig12= 1.00D+00 3.09D-01.
     30 vectors produced by pass  1 Test12= 7.68D-14 2.78D-09 XBig12= 4.77D-02 4.16D-02.
     30 vectors produced by pass  2 Test12= 7.68D-14 2.78D-09 XBig12= 5.32D-03 1.22D-02.
     30 vectors produced by pass  3 Test12= 7.68D-14 2.78D-09 XBig12= 1.89D-04 2.10D-03.
     30 vectors produced by pass  4 Test12= 7.68D-14 2.78D-09 XBig12= 5.09D-06 3.07D-04.
     30 vectors produced by pass  5 Test12= 7.68D-14 2.78D-09 XBig12= 1.60D-07 3.39D-05.
     30 vectors produced by pass  6 Test12= 7.68D-14 2.78D-09 XBig12= 3.69D-09 5.59D-06.
     30 vectors produced by pass  7 Test12= 7.68D-14 2.78D-09 XBig12= 6.51D-11 7.57D-07.
     30 vectors produced by pass  8 Test12= 7.68D-14 2.78D-09 XBig12= 9.32D-13 9.94D-08.
     15 vectors produced by pass  9 Test12= 7.68D-14 2.78D-09 XBig12= 5.37D-14 2.48D-08.
      4 vectors produced by pass 10 Test12= 7.68D-14 2.78D-09 XBig12= 2.25D-14 9.87D-09.
      2 vectors produced by pass 11 Test12= 7.68D-14 2.78D-09 XBig12= 5.19D-14 1.05D-08.
      1 vectors produced by pass 12 Test12= 7.68D-14 2.78D-09 XBig12= 3.03D-15 3.71D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   292 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.96D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.96D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.52D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.292286D+03 -0.192868D+02 -0.804738D+01
      2  -0.192868D+02  0.182626D+03 -0.507257D+01
      3  -0.804738D+01 -0.507257D+01  0.123916D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.116997D+02  0.209767D+02  0.299655D+01
      2  -0.798507D+02 -0.165018D+01 -0.230156D+02
      3   0.101894D+03 -0.448302D+02 -0.566322D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.425177D+03 -0.109837D+03 -0.896287D+02
      2  -0.183398D+03  0.924300D+02  0.677682D+01
      3  -0.241779D+03  0.174069D+02  0.828518D+02
      4  -0.584199D+02  0.900746D+02 -0.360932D+01
      5  -0.612210D+01  0.232268D+01 -0.801176D+02
      6  -0.305265D+01  0.219773D+02 -0.199469D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.413416D+02 -0.801653D+01 -0.146559D+01 -0.414713D+01  0.227335D+01
      2  -0.801653D+01  0.100179D+02  0.242107D-02  0.227335D+01 -0.136089D+02
      3  -0.146559D+01  0.242107D-02  0.442408D+01  0.683122D+00  0.147978D+01
                 6             7             8             9            10 
      1   0.683122D+00 -0.217105D+01  0.117591D+01  0.709373D+01  0.567242D+01
      2   0.147978D+01  0.117591D+01  0.156282D+00 -0.132974D+01  0.200874D+01
      3  -0.238760D+00  0.709373D+01 -0.132974D+01 -0.134899D+01 -0.206504D+00
                11            12            13            14            15 
      1   0.200874D+01 -0.206504D+00 -0.135304D+02  0.397433D+01  0.939262D+00
      2   0.958895D+01 -0.140223D+01  0.397433D+01  0.406326D+01 -0.146346D+01
      3  -0.140223D+01  0.278587D+01  0.939262D+00 -0.146346D+01 -0.181248D+01
                16            17            18            19            20 
      1   0.152900D+01 -0.491567D+00  0.384186D+01 -0.368917D+02  0.114307D+02
      2  -0.491567D+00 -0.201607D+01 -0.266024D+01  0.114307D+02 -0.886893D+01
      3   0.384186D+01 -0.266024D+01 -0.324869D+00  0.162769D+01  0.619041D+00
                21            22            23            24            25 
      1   0.162769D+01  0.196734D+02 -0.554762D+01 -0.696906D+00  0.178455D+01
      2   0.619041D+00 -0.554762D+01  0.731570D+01  0.411591D+00 -0.300928D-01
      3  -0.556160D+00 -0.696906D+00  0.411591D+00  0.289528D+01  0.382847D+00
                26            27            28            29            30 
      1  -0.300928D-01  0.382847D+00  0.360378D+02 -0.982683D+01 -0.150033D+01
      2   0.111956D+01  0.443183D+01 -0.982683D+01  0.289246D+01  0.305020D+00
      3   0.443183D+01 -0.127651D+01 -0.150033D+01  0.305020D+00 -0.630241D-01
                31            32            33            34            35 
      1   0.450612D+02 -0.930544D+01 -0.305187D+01 -0.815491D+01  0.214819D+01
      2  -0.930544D+01  0.909432D+01  0.261682D+00  0.214819D+01 -0.102577D+01
      3  -0.305187D+01  0.261682D+00 -0.239892D+00  0.120754D+01  0.925139D+00
                36            37            38            39            40 
      1   0.120754D+01 -0.392521D+02  0.107507D+02  0.151793D+01 -0.414148D+02
      2   0.925139D+00  0.107507D+02 -0.734935D+01 -0.521085D+00  0.805667D+01
      3  -0.115557D+00  0.151793D+01 -0.521085D+00  0.145757D+00  0.278320D+01
                41            42            43            44            45 
      1   0.805667D+01  0.278320D+01  0.818838D+01 -0.201537D+01 -0.141686D+01
      2  -0.655145D+01 -0.119448D+00 -0.201537D+01  0.125450D+01 -0.827901D+00
      3  -0.119448D+00  0.937813D-01 -0.141686D+01 -0.827901D+00  0.247663D+00
                46            47            48            49            50 
      1  -0.657238D+01 -0.250794D+01  0.879919D+00 -0.101802D+01  0.351543D+01
      2  -0.250794D+01 -0.518046D+01  0.243802D+00  0.351543D+01 -0.254561D+01
      3   0.879919D+00  0.243802D+00 -0.257800D+01 -0.754436D+00 -0.725851D+00
                51            52            53            54            55 
      1  -0.754436D+00  0.671043D+00 -0.579433D+00 -0.680814D+00  0.123833D+02
      2  -0.725851D+00 -0.579433D+00 -0.771875D-01 -0.403234D+01  0.743336D+00
      3  -0.148833D+01 -0.680814D+00 -0.403234D+01  0.146040D+01 -0.157471D+01
                56            57            58            59            60 
      1   0.743336D+00 -0.157471D+01 -0.603735D+00 -0.268767D+01  0.773960D+00
      2   0.989513D+01  0.174921D+00 -0.268767D+01 -0.905042D-02  0.801456D+00
      3   0.174921D+00  0.232905D+01  0.773960D+00  0.801456D+00  0.166864D+01
                61            62            63            64            65 
      1  -0.904209D+00  0.814281D+00  0.121849D+01 -0.707746D+01 -0.189636D+01
      2   0.814281D+00  0.522333D-01  0.438670D+01 -0.189636D+01 -0.135840D+02
      3   0.121849D+01  0.438670D+01 -0.151609D+01  0.368603D+00  0.114348D+01
                66            67            68            69            70 
      1   0.368603D+00  0.842037D+01 -0.138993D+01 -0.502232D+00 -0.258323D+01
      2   0.114348D+01 -0.138993D+01 -0.756358D+01  0.127478D+01  0.585453D-01
      3  -0.298373D+01 -0.502232D+00  0.127478D+01  0.135030D+01 -0.543404D+01
                71            72            73            74            75 
      1   0.585453D-01 -0.543404D+01 -0.440831D+02  0.573507D+01  0.198014D+01
      2   0.297108D+01  0.257837D+01  0.573507D+01 -0.465373D+01  0.191870D+00
      3   0.257837D+01  0.841861D+00  0.198014D+01  0.191870D+00 -0.164474D+01
                76            77            78            79            80 
      1   0.923053D+01 -0.273837D+01 -0.118943D+01  0.675986D+00 -0.100153D+01
      2  -0.273837D+01  0.172807D+02 -0.131361D+01 -0.100153D+01 -0.896430D+00
      3  -0.118943D+01 -0.131361D+01 -0.423982D+00 -0.581404D+01  0.751596D+00
                81            82            83            84            85 
      1  -0.581404D+01  0.413510D+02 -0.110779D+02 -0.163668D+01 -0.202964D+02
      2   0.751596D+00 -0.110779D+02  0.112125D+02 -0.481001D+00  0.305293D+01
      3   0.107859D+01 -0.163668D+01 -0.481001D+00  0.231112D+00  0.587587D+00
                86            87            88            89            90 
      1   0.305293D+01  0.587587D+00 -0.287673D+01  0.312366D+00 -0.272602D+00
      2  -0.701278D+01  0.111832D+00  0.312366D+00 -0.892306D+00 -0.318042D+01
      3   0.111832D+00 -0.192330D+01 -0.272602D+00 -0.318042D+01  0.130455D+01
                91            92            93            94            95 
      1   0.681540D+01 -0.187110D+01 -0.792083D+00  0.472123D+01  0.237746D+01
      2  -0.187110D+01  0.192571D+01  0.162377D+00  0.237746D+01 -0.304657D+01
      3  -0.792083D+00  0.162377D+00  0.210617D+01 -0.606975D+00 -0.506051D+00
                96            97            98            99           100 
      1  -0.606975D+00  0.404147D+01  0.370261D+00  0.680400D+01 -0.125831D+02
      2  -0.506051D+00  0.370261D+00  0.910456D-01  0.246600D+01  0.517169D+01
      3   0.350720D+01  0.680400D+01  0.246600D+01 -0.475529D+00  0.359543D+00
               101           102           103           104           105 
      1   0.517169D+01  0.359543D+00 -0.129623D+01  0.292591D+01 -0.358662D+00
      2  -0.446905D+01 -0.829212D-01  0.292591D+01  0.998147D+00 -0.469346D+00
      3  -0.829212D-01 -0.510699D+00 -0.358662D+00 -0.469346D+00 -0.133290D+01
               106           107           108           109           110 
      1   0.121648D+01 -0.758392D+00 -0.148444D+00 -0.146924D+01 -0.439834D+01
      2  -0.758392D+00  0.443969D+00  0.669936D+00 -0.439834D+01  0.163827D+01
      3  -0.148444D+00  0.669936D+00 -0.302576D-01  0.349798D+00  0.802116D+00
               111           112           113           114           115 
      1   0.349798D+00 -0.497983D+01 -0.160152D+01  0.109598D+01  0.254085D+00
      2   0.802116D+00 -0.160152D+01  0.183865D+01  0.106035D+01  0.931003D+00
      3  -0.186753D+00  0.109598D+01  0.106035D+01  0.630240D+01 -0.226425D+01
               116           117           118           119           120 
      1   0.931003D+00 -0.226425D+01  0.621210D+01 -0.335640D+01 -0.273554D+00
      2   0.651225D+00  0.475618D+01 -0.335640D+01  0.287757D+01  0.290849D-01
      3   0.475618D+01 -0.125289D+01 -0.273554D+00  0.290849D-01  0.281183D+00
               121           122           123           124           125 
      1  -0.459282D+01  0.458603D+01 -0.147822D+00 -0.274793D+00 -0.202873D+00
      2   0.458603D+01 -0.559120D+01  0.944155D-01 -0.202873D+00  0.280979D+00
      3  -0.147822D+00  0.944155D-01 -0.522571D+00 -0.413224D+00 -0.687611D-01
               126           127           128           129           130 
      1  -0.413224D+00  0.175135D+01  0.284929D+01 -0.386426D+00  0.329007D+01
      2  -0.687611D-01  0.284929D+01  0.217340D+01 -0.441376D+00  0.366867D+01
      3   0.126671D+00 -0.386426D+00 -0.441376D+00  0.456652D+00 -0.558361D+00
               131           132           133           134           135 
      1   0.366867D+01 -0.558361D+00 -0.490940D+00 -0.648848D+00  0.335469D+00
      2   0.771062D+01 -0.997656D+00 -0.648848D+00 -0.103543D+01  0.173270D+00
      3  -0.997656D+00  0.967932D+00  0.335469D+00  0.173270D+00 -0.191312D+00
               136           137           138           139           140 
      1  -0.882030D+00 -0.164272D+01  0.254199D+00 -0.460397D+00 -0.130898D+01
      2  -0.164272D+01 -0.233579D+01  0.399053D+00 -0.130898D+01 -0.928648D+01
      3   0.254199D+00  0.399053D+00 -0.255354D+00  0.131044D+00  0.103136D+01
               141           142           143           144           145 
      1   0.131044D+00  0.183264D+00  0.342964D+00  0.604216D-01  0.119316D+01
      2   0.103136D+01  0.342964D+00  0.121856D+01 -0.209632D+00  0.180115D+01
      3  -0.879968D+00  0.604216D-01 -0.209632D+00  0.156190D+00 -0.280578D+00
               146           147           148           149           150 
      1   0.180115D+01 -0.280578D+00  0.751801D+00  0.184380D+01 -0.165643D+00
      2   0.273325D+01 -0.423510D+00  0.184380D+01  0.106225D+02 -0.109877D+01
      3  -0.423510D+00  0.273772D+00 -0.165643D+00 -0.109877D+01  0.921775D+00
               151           152           153           154           155 
      1   0.117786D+00 -0.453984D+00  0.750393D-01 -0.584964D+01  0.360002D+01
      2  -0.453984D+00 -0.139348D+01  0.214457D+00  0.360002D+01 -0.363609D+01
      3   0.750393D-01  0.214457D+00 -0.132344D+00  0.268701D+00 -0.683894D-01
               156           157           158           159           160 
      1   0.268701D+00  0.372833D+01 -0.464437D+01  0.198036D+00  0.147552D+00
      2  -0.683894D-01 -0.464437D+01  0.629012D+01 -0.177035D-01  0.290161D+00
      3  -0.421041D+00  0.198036D+00 -0.177035D-01  0.676127D+00  0.392359D+00
               161           162           163           164           165 
      1   0.290161D+00  0.392359D+00 -0.250601D+01 -0.245268D+01  0.202942D+00
      2  -0.320291D+00  0.268103D+00 -0.245268D+01 -0.958803D+00  0.196657D+00
      3   0.268103D+00 -0.202500D+00  0.202942D+00  0.196657D+00 -0.430726D+00
               166           167           168           169           170 
      1  -0.313807D+01 -0.292842D+01  0.469347D+00 -0.172591D+00  0.274776D+00
      2  -0.292842D+01 -0.572246D+01  0.744648D+00  0.274776D+00  0.391041D+00
      3   0.469347D+00  0.744648D+00 -0.928082D+00 -0.508531D+00 -0.323736D+00
               171           172           173           174           175 
      1  -0.508531D+00 -0.178112D+01  0.234807D+01  0.195311D+00  0.428958D+01
      2  -0.323736D+00  0.234807D+01 -0.167216D+01 -0.266606D+00 -0.240035D+01
      3   0.185056D-01  0.195311D+00 -0.266606D+00 -0.902964D+00 -0.564100D+00
               176           177           178           179           180 
      1  -0.240035D+01 -0.564100D+00 -0.176481D+00 -0.333932D+00 -0.133564D+01
      2   0.515814D+01  0.431784D+00 -0.333932D+00  0.362091D+00  0.646815D+00
      3   0.431784D+00  0.949040D+00 -0.133564D+01  0.646815D+00  0.344161D+00
               181           182           183           184           185 
      1   0.107128D+02  0.145330D+01 -0.184163D+01 -0.180486D+01 -0.208747D+01
      2   0.145330D+01 -0.142274D+01 -0.528033D+00 -0.208747D+01  0.257464D+01
      3  -0.184163D+01 -0.528033D+00 -0.295271D+01  0.717688D+00 -0.288460D+00
               186           187           188           189           190 
      1   0.717688D+00  0.270268D+01  0.402077D+00 -0.423502D+01  0.302945D+01
      2  -0.288460D+00  0.402077D+00  0.805437D-01 -0.335032D+01 -0.984670D+00
      3  -0.507387D+01 -0.423502D+01 -0.335032D+01 -0.538952D+00  0.213290D+01
               191           192           193           194           195 
      1  -0.984670D+00  0.213290D+01 -0.373487D+01 -0.486238D+00 -0.195674D+01
      2  -0.511531D+00 -0.111242D+01 -0.486238D+00 -0.963807D-01  0.574175D+00
      3  -0.111242D+01  0.922427D+00 -0.195674D+01  0.574175D+00 -0.419116D+01
               196           197           198           199           200 
      1   0.292395D+01 -0.145906D+01  0.343725D+00  0.146769D+02  0.190999D+01
      2  -0.145906D+01 -0.272882D+00 -0.270986D+01  0.190999D+01  0.100904D+01
      3   0.343725D+00 -0.270986D+01  0.272341D+00 -0.134495D+01 -0.201997D+00
               201           202           203           204           205 
      1  -0.134495D+01  0.540913D+01  0.180704D+01 -0.537814D+00 -0.172578D+01
      2  -0.201997D+00  0.180704D+01  0.140585D+01 -0.306798D+00 -0.265737D+00
      3   0.121594D+01 -0.537814D+00 -0.306798D+00  0.304999D+00  0.184880D+01
               206           207           208           209           210 
      1  -0.265737D+00  0.184880D+01 -0.556473D+00 -0.756272D-01 -0.887723D+00
      2  -0.282327D+00 -0.166526D+00 -0.756272D-01 -0.518494D+00 -0.111621D+00
      3  -0.166526D+00 -0.425342D+00 -0.887723D+00 -0.111621D+00 -0.578584D+00
               211           212           213           214           215 
      1  -0.159658D+01  0.193326D+01  0.118870D+01 -0.326371D+01  0.145410D+01
      2   0.193326D+01 -0.379303D+01 -0.268888D+01  0.145410D+01 -0.265607D+01
      3   0.118870D+01 -0.268888D+01 -0.316499D+01  0.229428D+01 -0.321206D+01
               216           217           218           219           220 
      1   0.229428D+01  0.757193D+00 -0.276671D+00  0.145043D+01 -0.133544D+01
      2  -0.321206D+01 -0.276671D+00 -0.857804D-01 -0.464841D+00  0.179465D+01
      3  -0.453628D+01  0.145043D+01 -0.464841D+00  0.100945D+00 -0.133071D+01
               221           222           223           224           225 
      1   0.179465D+01 -0.133071D+01  0.463849D+01 -0.189166D+01  0.295299D+01
      2  -0.244615D+01  0.179209D+01 -0.189166D+01  0.212347D+01 -0.279283D+01
      3   0.179209D+01 -0.256258D+01  0.295299D+01 -0.279283D+01  0.548405D+01
               226           227           228           229           230 
      1   0.377879D-01  0.466677D+00  0.113237D+01  0.142307D+01  0.412775D+00
      2   0.466677D+00  0.597455D+00  0.412367D+00  0.412775D+00  0.109539D+01
      3   0.113237D+01  0.412367D+00  0.243448D+01 -0.290216D+00  0.161497D+01
               231           232           233           234           235 
      1  -0.290216D+00  0.113759D+01  0.178774D+00  0.313504D+00  0.249864D+00
      2   0.161497D+01  0.178774D+00  0.132398D+01  0.181473D+01 -0.742532D+00
      3   0.356361D+01  0.313504D+00  0.181473D+01  0.782274D+01 -0.100780D+00
               236           237           238           239           240 
      1  -0.742532D+00 -0.100780D+00 -0.212035D+01  0.545709D-01  0.400513D+00
      2   0.107591D+01 -0.296236D+00  0.545709D-01 -0.527562D+01  0.111418D+01
      3  -0.296236D+00  0.103875D+01  0.400513D+00  0.111418D+01 -0.138746D+01
               241           242           243           244           245 
      1  -0.621248D+00 -0.201566D+00  0.596494D+00 -0.156090D+02 -0.192950D+01
      2  -0.201566D+00  0.398945D+00 -0.515317D+00 -0.192950D+01 -0.103146D+01
      3   0.596494D+00 -0.515317D+00  0.768671D-01  0.398553D+01  0.598375D+00
               246           247           248           249           250 
      1   0.398553D+01 -0.165237D+01 -0.141446D+01  0.319732D+00  0.135707D+01
      2   0.598375D+00 -0.141446D+01 -0.611927D+00  0.502569D+00  0.195903D+00
      3  -0.237204D+01  0.319732D+00  0.502569D+00  0.253865D+00 -0.160993D+01
               251           252           253           254           255 
      1   0.195903D+00 -0.160993D+01 -0.808588D+01  0.261990D+01 -0.417203D+01
      2  -0.175423D-01  0.553369D-01  0.261990D+01 -0.117960D+01  0.926997D+00
      3   0.553369D-01  0.100010D+01 -0.417203D+01  0.926997D+00 -0.263840D+01
               256           257           258           259           260 
      1   0.611062D+01 -0.206790D+01  0.227703D+01 -0.809785D+01  0.121850D+01
      2  -0.206790D+01  0.386851D+01 -0.249655D+01  0.121850D+01 -0.173362D+01
      3   0.227703D+01 -0.249655D+01  0.334878D+01 -0.549938D+01  0.275911D+01
               261           262           263           264           265 
      1  -0.549938D+01  0.236842D+01 -0.433592D+00  0.111227D+01 -0.340424D+01
      2   0.275911D+01 -0.433592D+00  0.114221D+01  0.120981D+01 -0.428468D+00
      3  -0.734024D+01  0.111227D+01  0.120981D+01  0.181805D+01  0.102173D+01
               266           267           268           269           270 
      1  -0.428468D+00  0.102173D+01  0.237176D+01  0.212453D+01  0.260413D+01
      2  -0.361321D+01  0.675531D+00  0.212453D+01  0.280115D+01  0.157759D+01
      3   0.675531D+00  0.108076D+01  0.260413D+01  0.157759D+01  0.449356D+01
               271           272           273           274           275 
      1  -0.139129D+01 -0.139916D+01 -0.135469D+01 -0.982856D+00 -0.123968D+01
      2  -0.139916D+01 -0.132184D+01 -0.101513D+01 -0.123968D+01 -0.254215D+01
      3  -0.135469D+01 -0.101513D+01 -0.148930D+01 -0.875029D+00 -0.148461D+01
               276           277           278           279 
      1  -0.875029D+00 -0.242762D+01 -0.195830D+01 -0.273291D+01
      2  -0.148461D+01 -0.195830D+01 -0.310124D+01 -0.309544D+01
      3  -0.171415D+01 -0.273291D+01 -0.309544D+01 -0.502060D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.348671D+00  0.471743D+01 -0.309976D+01  0.388699D+01 -0.107337D+01
      2  -0.109178D+02  0.459627D+01  0.363567D+01  0.588257D+01 -0.278822D+01
      3   0.128897D+02  0.134994D+02 -0.181885D+01  0.343639D+02 -0.393062D+00
                 6             7             8             9            10 
      1   0.429097D+01 -0.604724D+00  0.135547D+02 -0.152415D+01 -0.710755D-01
      2  -0.617921D+00  0.415408D+01  0.207070D+01 -0.242829D+01 -0.223949D+01
      3  -0.282774D+01 -0.376102D+01 -0.262874D+01  0.410707D+01 -0.217906D+02
                11            12            13            14            15 
      1   0.334530D+01  0.619062D+01  0.344931D-01  0.674807D-01 -0.219126D+01
      2   0.739593D+00  0.830324D+01  0.123571D+01 -0.258000D+01 -0.509255D+01
      3   0.938081D+00  0.464504D-01 -0.188497D+02 -0.933872D+01  0.305034D+01
                16            17            18            19            20 
      1   0.111725D+02  0.501148D+01 -0.266057D+01 -0.261755D+01 -0.400519D+01
      2  -0.561686D+01 -0.109693D+02  0.179449D+00  0.815735D+01 -0.567833D+01
      3   0.302243D+01  0.178078D+01  0.688199D+00 -0.383913D+02 -0.261168D+02
                21            22            23            24            25 
      1   0.131753D+01 -0.909215D+00  0.212729D+01 -0.426048D+01 -0.677817D+01
      2   0.238625D+01 -0.613401D+01  0.542963D+01  0.614811D+01 -0.170165D+02
      3   0.456769D+01  0.119937D+02  0.719861D+01 -0.286867D+01  0.378245D+01
                26            27            28            29            30 
      1   0.314469D+01  0.767017D+00  0.132722D+01  0.487206D+01 -0.103969D+01
      2   0.177835D+02 -0.234144D+01 -0.135064D+02  0.827302D+01 -0.474361D+01
      3  -0.154893D+01 -0.981123D+01  0.313857D+02  0.388606D+02 -0.620576D+01
                31            32            33            34            35 
      1   0.425112D+01  0.527902D+00  0.156559D+01 -0.536221D+01  0.675187D+01
      2  -0.724901D+01 -0.166879D+01  0.923547D+00 -0.180433D+02  0.185218D+01
      3   0.680765D+02 -0.314588D+02 -0.254961D+01 -0.791937D+01 -0.162911D+01
                36            37            38            39            40 
      1   0.153493D+00 -0.655657D+00  0.288373D+01 -0.104773D+01  0.323075D+01
      2   0.187543D+01  0.118547D+02  0.230594D+01 -0.842992D+00  0.115535D+02
      3   0.752952D+00 -0.163480D+02  0.428501D+02 -0.429084D+01  0.200920D+02
                41            42            43            44            45 
      1  -0.356486D+01 -0.212461D+00 -0.416349D+01  0.818625D+01 -0.591347D+00
      2  -0.506595D+01 -0.248769D+00 -0.213263D+02  0.255367D+01  0.150570D+01
      3  -0.276557D+02  0.118583D+01  0.260865D+01 -0.274359D+01  0.105359D+01
                46            47            48            49            50 
      1   0.193264D+01 -0.516541D+01 -0.550105D+01 -0.972517D+00  0.191721D+01
      2   0.245310D+00 -0.445982D+01 -0.631391D+01 -0.156850D+01  0.192924D+01
      3   0.356891D+02 -0.322638D+02  0.315585D+01 -0.635770D+01  0.308075D+02
                51            52            53            54            55 
      1  -0.310784D+01 -0.719927D+01 -0.171917D+01  0.194542D+01  0.157536D+01
      2  -0.237408D+01 -0.216696D+02 -0.305391D+01  0.432382D+01  0.225763D+01
      3  -0.151624D+01  0.149028D+01  0.188840D+01  0.988503D+01  0.351722D+02
                56            57            58            59            60 
      1  -0.186607D+01 -0.608331D+01 -0.258261D+01  0.144249D+01 -0.446166D+01
      2  -0.556912D+01  0.485919D+00 -0.287806D+01  0.400511D+01 -0.448693D+00
      3  -0.338721D+02  0.189384D+01 -0.606277D+01  0.246888D+02 -0.133081D+01
                61            62            63            64            65 
      1  -0.801783D+01 -0.433793D+01  0.382845D+01  0.175667D+00 -0.163061D+01
      2  -0.165038D+02  0.157209D+00  0.166138D+01 -0.236722D+01  0.133947D+01
      3  -0.147876D+00  0.211645D+01  0.437914D+01 -0.195044D+02  0.515748D+01
                66            67            68            69            70 
      1   0.772616D+01  0.334713D+01 -0.198992D+01 -0.685762D+00  0.142245D+02
      2   0.342350D+01 -0.599661D+01 -0.487497D+00 -0.245938D+01 -0.460516D+01
      3  -0.152922D+01  0.852511D+01  0.299647D+00 -0.151418D+01 -0.206358D+01
                71            72            73            74            75 
      1   0.544229D+01 -0.291858D+01 -0.556406D+01  0.191503D+01 -0.592871D-01
      2  -0.793640D+01  0.195405D+01  0.139151D+02 -0.156234D+01 -0.145619D+00
      3  -0.100241D+01 -0.575579D+01 -0.376756D+02  0.109038D+02  0.808069D+00
                76            77            78            79            80 
      1   0.138012D+01  0.510847D+01  0.475538D+00  0.229183D+01  0.130300D+02
      2   0.223074D+00 -0.196605D+00  0.210446D+01 -0.974875D+01  0.197921D+01
      3   0.325256D+02 -0.108233D+02  0.652911D+00 -0.201925D+01 -0.118282D+01
                81            82            83            84            85 
      1  -0.263806D+01  0.468042D+00 -0.667020D+00  0.114148D+01 -0.131222D+01
      2   0.186012D+01 -0.175580D+02  0.453796D+00  0.178976D+00  0.765095D+01
      3  -0.443659D+01  0.152008D+02 -0.385094D+02  0.392719D+01 -0.960553D+01
                86            87            88            89            90 
      1  -0.869238D+00 -0.138832D+01 -0.382411D+01  0.387972D+01 -0.295211D+00
      2   0.425608D+00  0.199447D+01 -0.179988D+02  0.845844D+01 -0.549852D+00
      3   0.598194D+01 -0.458543D+00  0.311916D+00  0.196772D+01 -0.211398D+01
                91            92            93            94            95 
      1   0.315829D+01  0.201787D+01  0.528217D+00  0.538292D+01 -0.159253D+01
      2  -0.462155D+01  0.387020D+00 -0.190299D+01 -0.458022D+01 -0.493034D+00
      3   0.953245D+01  0.250815D+01  0.117959D+01  0.293001D+02 -0.159764D+02
                96            97            98            99           100 
      1  -0.529519D+01  0.373732D+01  0.222143D+01  0.153646D+01  0.918005D+00
      2  -0.101578D+02 -0.370260D+02 -0.867976D+01 -0.263776D+01  0.444000D+01
      3  -0.264473D+01  0.811717D+01 -0.942200D+00  0.160002D+02 -0.628773D+01
               101           102           103           104           105 
      1  -0.464327D+01  0.343175D+01  0.806769D-01 -0.124996D+01 -0.528952D+01
      2  -0.354736D+01  0.129849D+02 -0.129393D+01 -0.213625D+01 -0.774931D+01
      3  -0.372895D+02  0.221603D+01 -0.260216D+01 -0.798587D+01  0.191498D+01
               106           107           108           109           110 
      1   0.136358D+01 -0.126504D+01  0.188598D+00  0.132685D+01  0.168037D+01
      2  -0.714506D+01  0.253469D+01 -0.456016D+00  0.123348D+01  0.471650D+01
      3   0.563575D+00  0.443198D+01 -0.304130D+01  0.348774D+02  0.442940D+01
               111           112           113           114           115 
      1  -0.127277D+01  0.131416D+01 -0.653902D+00  0.635988D+01 -0.104425D+02
      2  -0.164949D+01  0.609454D+01  0.518127D+01  0.399822D+02 -0.174340D+02
      3  -0.693581D+01  0.199641D+02 -0.258364D+02 -0.715370D+01 -0.625399D+01
               116           117           118           119           120 
      1   0.851257D+01 -0.262076D+01 -0.127092D+01  0.537645D+00  0.170032D+01
      2   0.302441D+02 -0.823101D+01 -0.216682D+01  0.659291D+00  0.160775D+01
      3  -0.532104D+01 -0.310087D+02 -0.371178D+01 -0.427733D+01  0.579173D+00
               121           122           123           124           125 
      1   0.281913D-01 -0.167852D+00 -0.290003D+01 -0.238984D+01  0.122267D+01
      2   0.142769D+00 -0.206947D+00 -0.283119D+01 -0.285226D+01  0.976542D-01
      3  -0.470043D+01  0.128626D+02 -0.213017D+00  0.162868D+01 -0.965152D+00
               126           127           128           129           130 
      1   0.319132D+00  0.142069D+00  0.242382D+00 -0.151427D+01  0.300175D+00
      2   0.629719D+00 -0.883103D+00 -0.105120D+01  0.193595D+01 -0.105069D+01
      3   0.878378D+00 -0.391330D+01 -0.370648D+01  0.742552D+00 -0.228052D+01
               131           132           133           134           135 
      1  -0.221443D+00 -0.375466D+01 -0.208817D+00  0.176944D+01  0.397315D+00
      2  -0.266118D+01  0.354447D+01 -0.172424D+01 -0.147474D+00 -0.338785D+00
      3  -0.188456D+02  0.206687D+01  0.100964D+01  0.222701D+01  0.292516D+00
               136           137           138           139           140 
      1   0.336679D+00  0.210623D+00 -0.149829D+01 -0.274656D-01 -0.521827D+00
      2   0.101332D+01  0.939893D+00  0.177069D+00  0.632657D+00  0.191215D+01
      3   0.833219D+01  0.582069D+01 -0.130240D+01  0.632204D+01  0.187058D+02
               141           142           143           144           145 
      1  -0.419755D+01  0.618286D+00  0.281359D+01  0.161503D+00  0.998764D+00
      2  -0.311556D+00 -0.394689D+00 -0.696755D-01 -0.501748D-01  0.388544D+00
      3  -0.218373D+01 -0.157965D+01 -0.287465D+01 -0.178658D+00  0.572834D+01
               146           147           148           149           150 
      1   0.118380D+01 -0.181442D+01  0.746108D+00  0.275763D+01 -0.517663D+01
      2  -0.121357D-01  0.861951D+00  0.293134D+00 -0.168086D+00  0.125056D+01
      3   0.320166D+01 -0.888244D+00  0.546217D+01  0.387918D+01 -0.645052D+00
               151           152           153           154           155 
      1   0.121850D+01  0.209084D+01  0.302509D+00  0.118284D+00 -0.422516D+00
      2  -0.120107D+01  0.104735D+01 -0.502941D+00 -0.508790D-01 -0.195969D+00
      3  -0.896984D+00 -0.132815D+01 -0.645477D+00 -0.103808D+02  0.152554D+01
               156           157           158           159           160 
      1   0.255185D+01 -0.176534D+01  0.163515D+01 -0.346847D+01 -0.262373D+01
      2   0.184891D+01 -0.836130D+00  0.522803D+00 -0.261314D+01 -0.247604D+01
      3   0.414819D+00  0.359487D+01  0.579070D+00  0.327579D+00  0.144528D+01
               161           162           163           164           165 
      1   0.954567D+00  0.677968D+00 -0.116776D+01 -0.958200D-01 -0.160847D+01
      2  -0.145147D+00  0.326703D+00  0.587160D+00  0.590982D+00  0.426686D+00
      3   0.997008D-01  0.821149D+00  0.280394D+01  0.121592D+01  0.163701D+00
               166           167           168           169           170 
      1  -0.704797D+00 -0.212517D+01 -0.329681D+01 -0.183212D+01  0.180395D+01
      2   0.106302D+01 -0.839874D-02  0.156656D+01 -0.159375D+01 -0.875844D+00
      3   0.452214D+01 -0.475137D+01  0.253170D+00 -0.762484D+00  0.607004D+00
               171           172           173           174           175 
      1  -0.835285D-01  0.127484D+01 -0.859267D+00  0.969387D+00 -0.570539D+00
      2   0.693778D+00  0.204936D+00 -0.460235D+00  0.387880D+01 -0.211984D-02
      3   0.882426D+00  0.822705D+01 -0.670846D+01 -0.961181D+00 -0.267258D+01
               176           177           178           179           180 
      1   0.309980D+01 -0.237856D+01  0.194119D+00  0.121592D+01  0.467482D+00
      2   0.305320D+00 -0.354125D+01  0.279614D+01 -0.168075D+01 -0.602347D+00
      3   0.190943D+02  0.733341D+00 -0.185152D+01  0.142617D+01  0.140859D+01
               181           182           183           184           185 
      1   0.240230D+01 -0.578222D+01 -0.215611D+01 -0.365806D+01  0.729068D+01
      2  -0.132581D+02 -0.195670D+01  0.180770D+02 -0.380743D+01  0.573424D+01
      3  -0.146821D+01 -0.127612D+02  0.168830D+01 -0.119488D+02  0.150078D+02
               186           187           188           189           190 
      1  -0.548700D+01  0.712062D+00 -0.269915D+00 -0.979996D+01 -0.407833D+00
      2   0.174594D+02  0.133884D+02  0.118231D+02  0.930037D+01  0.999381D+01
      3   0.120958D+01  0.679024D+01 -0.164023D+00 -0.137759D+02 -0.986359D+01
               191           192           193           194           195 
      1  -0.670528D+01 -0.348111D+01 -0.801473D+01  0.157765D+01 -0.186748D+01
      2   0.608874D+01  0.582961D+01  0.164319D+02 -0.875381D+00  0.153286D+02
      3  -0.799769D+01 -0.754565D+01 -0.448707D+01 -0.679063D+00  0.517424D+01
               196           197           198           199           200 
      1   0.113886D+01 -0.305767D+00  0.123389D+01 -0.153433D+01 -0.837171D+00
      2  -0.366035D+01  0.919779D+01 -0.118287D+02 -0.414341D+01 -0.833370D+00
      3  -0.693367D+01  0.147241D+02 -0.118706D+02 -0.216208D+02 -0.111437D+02
               201           202           203           204           205 
      1   0.397220D+00 -0.859409D+00 -0.738430D+00 -0.715382D+00  0.159311D+01
      2   0.938199D+01 -0.192696D+01 -0.132024D+01  0.224771D+01  0.895133D+01
      3   0.237494D+01 -0.134069D+02 -0.100137D+02  0.219830D+01  0.292491D+01
               206           207           208           209           210 
      1   0.314507D+00 -0.871069D-01  0.302218D+00  0.103086D+00 -0.118566D+01
      2  -0.100532D+01 -0.213929D+01 -0.652403D+01 -0.977432D+00 -0.294090D+01
      3   0.229273D+01  0.339066D+00  0.249707D+01  0.259646D+01  0.191545D+01
               211           212           213           214           215 
      1   0.409636D+00  0.269469D+00 -0.356379D+01  0.183461D+01  0.231646D+00
      2   0.435580D+01 -0.141663D+02 -0.182550D+02  0.885060D+01 -0.183379D+02
      3  -0.866971D+01  0.263697D+02  0.158974D+02 -0.556959D+01  0.172999D+02
               216           217           218           219           220 
      1  -0.434917D+01  0.591767D+00 -0.268757D+00 -0.868090D-01 -0.150189D+01
      2  -0.249271D+02  0.957009D+01 -0.274371D+01  0.108933D+01 -0.666424D+01
      3   0.195944D+02  0.254590D+01 -0.467846D+00  0.156556D+01 -0.866014D+01
               221           222           223           224           225 
      1   0.186006D+01 -0.399658D+01  0.382236D+01 -0.857292D+00  0.725065D+01
      2   0.104499D+02 -0.157337D+02  0.136093D+02 -0.170595D+02  0.325454D+02
      3   0.179234D+02 -0.107633D+02  0.777271D+01 -0.144088D+02  0.172322D+02
               226           227           228           229           230 
      1   0.143375D+01  0.274215D+01  0.136752D+01  0.188105D+01  0.392513D+01
      2  -0.612746D+01 -0.238079D+01 -0.998624D+01 -0.238877D+01 -0.670957D+01
      3   0.156042D+01  0.216781D+01  0.206316D+00  0.328793D+01  0.342691D+01
               231           232           233           234           235 
      1   0.329729D+01  0.772674D+00  0.602925D+01  0.711736D+01 -0.315194D+01
      2  -0.123097D+02 -0.598199D+01 -0.757392D+01 -0.288543D+02 -0.162446D+01
      3   0.461650D+01 -0.160083D+00  0.394156D+01  0.478858D+01 -0.735844D+01
               236           237           238           239           240 
      1   0.290740D+01  0.112542D+01  0.154051D+01 -0.119381D+02 -0.136018D+01
      2   0.278149D+01 -0.285004D+01  0.269023D+01 -0.588012D+01  0.398115D+01
      3   0.578535D+01 -0.680183D+00  0.511127D+01 -0.218938D+02  0.378191D+01
               241           242           243           244           245 
      1   0.474588D+00  0.776170D+00 -0.202452D+01 -0.190896D+01 -0.275510D+01
      2  -0.190983D+01  0.178662D+01 -0.141970D+01  0.119675D+02  0.461290D+00
      3   0.818512D+00  0.998659D+00 -0.287565D+01 -0.183824D+01 -0.708397D+01
               246           247           248           249           250 
      1  -0.348646D+00 -0.242421D+01 -0.169058D+01  0.854409D-01 -0.397902D+00
      2   0.607590D+01  0.135835D+01 -0.120502D-01 -0.113469D+01  0.227980D+01
      3   0.161096D+01 -0.370960D+01 -0.345207D+01  0.157367D+01 -0.856418D+00
               251           252           253           254           255 
      1   0.980170D+00  0.772262D+00 -0.415760D+01  0.492253D+01  0.233031D+01
      2  -0.647445D+00 -0.144155D+01  0.815156D+01 -0.284437D+01  0.102847D+02
      3   0.120908D+01  0.785074D+00  0.981971D+01 -0.893840D+01  0.475290D+01
               256           257           258           259           260 
      1   0.442109D+01 -0.597276D+01 -0.908106D+00 -0.143364D+01  0.878126D+01
      2  -0.130478D+02  0.794050D+01 -0.127921D+02  0.174571D+02 -0.974529D+01
      3  -0.208915D+01  0.184025D+02 -0.100303D+02 -0.253884D+01 -0.163039D+02
               261           262           263           264           265 
      1  -0.116727D+01  0.482561D+01  0.141835D+01  0.267281D+01 -0.192435D+01
      2   0.321863D+02 -0.544156D+01 -0.601525D+01 -0.420454D+01 -0.214011D+01
      3   0.932691D+01 -0.299798D+01  0.250815D+01  0.335064D+01  0.131199D+01
               266           267           268           269           270 
      1   0.421705D+01 -0.547989D+01  0.266400D+01  0.220737D+01  0.729775D+01
      2  -0.133791D+01 -0.346404D+01 -0.866347D+01 -0.445172D+01 -0.140633D+02
      3  -0.179965D+02  0.244549D+01  0.550686D+01  0.653135D+01  0.228896D+01
               271           272           273           274           275 
      1  -0.452003D+00  0.398345D-02 -0.165319D+01 -0.976440D+00 -0.918198D+00
      2   0.341840D+01  0.341949D+01  0.466251D+01  0.195636D+01  0.492668D+01
      3  -0.347418D+01 -0.413870D+01 -0.248020D+01 -0.219490D+01 -0.776695D+01
               276           277           278           279 
      1  -0.258745D+01 -0.219141D+01 -0.864308D+00 -0.617874D+01
      2   0.560382D+01  0.694943D+01  0.104326D+02  0.177742D+02
      3  -0.438636D+01 -0.447897D+01 -0.104991D+02 -0.999066D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.152980D+03 -0.416779D+02 -0.571709D+01  0.907820D+01 -0.323323D+02
      2  -0.857294D+02  0.260135D+02  0.198124D+01 -0.123051D+02  0.338093D+02
      3  -0.672509D+02  0.156644D+02  0.373586D+01  0.322689D+01 -0.147693D+01
      4  -0.178182D+02  0.336580D+02 -0.865843D+00 -0.311391D+02 -0.628323D+02
      5   0.418808D+00 -0.379480D+00  0.978752D+01  0.748819D+01  0.648922D+01
      6   0.361459D+00  0.152595D+01  0.576578D+01  0.571796D+01 -0.362892D+01
                 6             7             8             9            10 
      1   0.432852D+01 -0.523938D+01  0.868316D+01  0.251252D+02  0.462802D+01
      2  -0.573059D+01  0.491692D+01 -0.720947D+01 -0.236577D+02 -0.346362D+01
      3   0.140207D+01  0.322463D+00 -0.147369D+01 -0.146754D+01 -0.116440D+01
      4   0.909554D+01  0.103161D+02  0.231083D+01 -0.325957D+01  0.352354D+02
      5  -0.178599D+01  0.512721D+02 -0.905390D+01 -0.394514D+01  0.372957D+01
      6  -0.638333D+01  0.308468D+00  0.468455D+01  0.185644D+01 -0.582408D+01
                11            12            13            14            15 
      1   0.625553D+02 -0.450301D+01 -0.766614D+02  0.366059D+02  0.126021D+01
      2  -0.421587D+02  0.526745D+00  0.535750D+02 -0.302596D+02 -0.818166D+00
      3  -0.203966D+02  0.397626D+01  0.230864D+02 -0.634623D+01 -0.442045D+00
      4   0.366120D+02 -0.825539D+01  0.344468D+02  0.291580D+02 -0.891108D+01
      5  -0.951028D+01  0.175539D+02  0.321543D+01 -0.745885D+01 -0.120560D+02
      6   0.280809D+01 -0.123405D+02 -0.636291D+01  0.295271D+01  0.562487D+01
                16            17            18            19            20 
      1   0.119230D+02 -0.127607D+02  0.111494D+01 -0.113649D+03  0.109524D+02
      2  -0.108061D+02  0.994349D+01 -0.733576D+01  0.527831D+02 -0.286405D+01
      3  -0.111690D+01  0.281718D+01  0.622082D+01  0.608661D+02 -0.808832D+01
      4  -0.737487D+01 -0.920895D+01 -0.146429D+02  0.134525D+02 -0.368111D+02
      5   0.269173D+02 -0.164436D+02  0.216625D+01  0.704764D+01  0.701823D+01
      6  -0.159815D+02  0.106406D+02  0.300373D+01  0.524155D+01  0.111837D+01
                21            22            23            24            25 
      1   0.680830D+01  0.907118D+02 -0.142036D+02 -0.624190D+01  0.162206D+01
      2  -0.358068D+01 -0.588012D+02 -0.444609D+01  0.635397D+01  0.129797D+01
      3  -0.322762D+01 -0.319106D+02  0.186497D+02 -0.112066D+00 -0.292003D+01
      4   0.606090D+01 -0.102261D+02  0.243078D+02  0.304065D+01  0.357770D+01
      5   0.261610D+01 -0.243826D+01  0.387300D+01  0.139540D+02  0.578842D+01
      6  -0.877311D+00  0.229466D+01  0.596810D+01  0.737473D+01  0.335673D+01
                26            27            28            29            30 
      1   0.280112D+01 -0.172724D+02  0.899041D+02 -0.570898D+00 -0.920794D+01
      2   0.261416D+01  0.270440D-01 -0.391932D+02 -0.192366D+01  0.328646D+01
      3  -0.541528D+01  0.172454D+02 -0.507108D+02  0.249455D+01  0.592148D+01
      4   0.875535D+01  0.250931D+02 -0.129569D+02  0.677013D+01 -0.650452D+00
      5   0.263271D+02 -0.408933D+01 -0.574491D+01 -0.265021D+01 -0.897357D+01
      6   0.154845D+02 -0.166361D+01 -0.391823D+01  0.130125D+01  0.134084D+01
                31            32            33            34            35 
      1   0.940404D+02 -0.365320D+02 -0.548489D+01 -0.195112D+02  0.302257D+01
      2  -0.451488D+02  0.314927D+02  0.547579D+00  0.881654D+01 -0.269733D+01
      3  -0.488916D+02  0.503938D+01  0.493732D+01  0.106947D+02 -0.325242D+00
      4  -0.191509D+02  0.144519D+02 -0.372144D+00  0.348325D+01 -0.861189D+00
      5   0.430265D+01 -0.257555D+01  0.305726D+00 -0.188138D+00  0.277393D+01
      6  -0.316036D+01  0.409789D+00 -0.308961D+01  0.398739D+01  0.445398D+01
                36            37            38            39            40 
      1  -0.718455D+01 -0.891838D+02  0.529931D+02  0.164038D+00 -0.887801D+02
      2  -0.154203D+01  0.490108D+02 -0.350401D+02 -0.945478D+00  0.480983D+02
      3   0.872659D+01  0.401730D+02 -0.179529D+02  0.781441D+00  0.406818D+02
      4   0.302916D+01  0.538884D+02 -0.249530D+01 -0.332491D+01 -0.743338D+01
      5   0.304098D+01 -0.108444D+01 -0.195218D+01 -0.285632D+00 -0.177464D+01
      6   0.118146D+01 -0.190081D+01 -0.624167D+00  0.189895D+01  0.422675D+01
                41            42            43            44            45 
      1  -0.336937D+00  0.663020D+01  0.155339D+02 -0.675928D+01 -0.116708D+02
      2   0.416241D+01 -0.502569D+01 -0.790641D+01  0.396844D+01 -0.387677D+00
      3  -0.382547D+01 -0.160451D+01 -0.762751D+01  0.279083D+01  0.120585D+02
      4  -0.555301D+01  0.152789D+01 -0.480038D+01  0.112068D+01  0.107350D+01
      5   0.295241D+01  0.525684D+00  0.163162D+00 -0.137176D+01  0.144588D+01
      6  -0.315388D+01 -0.360589D+00  0.218511D+01  0.347769D+01 -0.975892D-01
                46            47            48            49            50 
      1  -0.226912D+01 -0.568728D+02  0.248279D+01  0.232612D+01  0.253621D+02
      2  -0.272563D+01  0.374094D+02  0.201754D+00 -0.569193D+01 -0.255201D+02
      3   0.499475D+01  0.194634D+02 -0.268455D+01  0.336581D+01  0.158022D+00
      4  -0.399303D+02 -0.321400D+02  0.567559D+01  0.326285D+02 -0.154962D+02
      5  -0.185567D+01  0.639576D+01 -0.136890D+02 -0.216419D+01 -0.570054D+00
      6   0.582824D+01  0.212453D+01  0.102503D+02  0.560806D-01  0.612962D+01
                51            52            53            54            55 
      1  -0.532959D+01 -0.247295D+01 -0.266398D+00 -0.222367D+02  0.183930D+02
      2   0.601548D+01  0.260422D+01  0.511980D+01  0.653822D+01 -0.131599D+02
      3  -0.685889D+00 -0.131266D+00 -0.485340D+01  0.156985D+02 -0.523304D+01
      4  -0.156341D+01 -0.511738D+00  0.449492D+01 -0.114137D+02  0.352759D+01
      5  -0.265262D+01 -0.316917D+00 -0.126634D+02  0.752666D+01  0.702612D+01
      6   0.721020D+01  0.113853D+01  0.198264D+02 -0.449097D+01  0.146466D+01
                56            57            58            59            60 
      1  -0.553749D+02 -0.110266D+01  0.133150D+02  0.453729D+01 -0.419755D+01
      2   0.465918D+02  0.707593D+00 -0.135129D+02 -0.150015D+02  0.544515D+01
      3   0.878319D+01  0.395072D+00  0.197893D+00  0.104642D+02 -0.124759D+01
      4  -0.853799D+01  0.131340D+01  0.383083D+01 -0.109977D+02  0.227568D+01
      5   0.412536D+01 -0.153946D+01 -0.203987D+01  0.186119D+01  0.147263D+01
      6   0.739514D+01  0.119747D+02  0.142700D+01  0.792184D+01  0.100489D+02
                61            62            63            64            65 
      1  -0.592564D+01  0.824607D+00 -0.242197D+02 -0.931870D+01  0.734839D+02
      2   0.550590D+01  0.300104D+01  0.134494D+02  0.111681D+01 -0.614806D+02
      3   0.419741D+00 -0.382565D+01  0.107703D+02  0.820189D+01 -0.120033D+02
      4   0.842319D+00  0.539538D+01  0.522366D+01  0.842360D+01 -0.139002D+02
      5   0.505014D+01  0.483433D+00  0.246216D+01 -0.610834D+00 -0.542209D+01
      6   0.563075D+01  0.259456D+02 -0.409527D+01 -0.348300D+01 -0.168361D+01
                66            67            68            69            70 
      1  -0.404877D+01 -0.248096D+02  0.381183D+02 -0.600309D+01  0.100252D+02
      2   0.311037D+01  0.272412D+02 -0.413781D+02  0.287214D+01 -0.767075D+01
      3   0.938402D+00 -0.243158D+01  0.325976D+01  0.313095D+01 -0.235445D+01
      4  -0.391350D+00  0.113573D+02  0.127563D+02 -0.340982D+01 -0.369075D+01
      5   0.832116D+01  0.225813D+01 -0.609483D+01 -0.681450D+01  0.241117D+02
      6  -0.141977D+02 -0.709689D+01  0.112629D+01  0.424874D+01 -0.204618D+02
                71            72            73            74            75 
      1  -0.173920D+02 -0.134488D+02 -0.656061D+01  0.618341D+01  0.699577D+00
      2   0.143891D+02  0.308830D+01 -0.665768D+01 -0.940421D+01  0.274563D+01
      3   0.300289D+01  0.103605D+02  0.132183D+02  0.322080D+01 -0.344521D+01
      4  -0.897586D+00 -0.100520D+02  0.164245D+02  0.102929D+02 -0.213607D+01
      5  -0.720837D+01 -0.780855D+00 -0.854596D+01 -0.125642D+01  0.314447D+01
      6   0.155760D+02  0.661928D+01  0.188119D+01 -0.252682D+01 -0.273121D+01
                76            77            78            79            80 
      1   0.313883D+02 -0.732732D+02  0.441685D+01  0.976753D+01  0.563925D+01
      2  -0.219829D+02  0.722749D+02 -0.601990D+01 -0.162576D+01 -0.701619D+01
      3  -0.940540D+01  0.998330D+00  0.160305D+01 -0.814177D+01  0.137694D+01
      4  -0.393295D+02 -0.388274D+01  0.206531D+01  0.581245D+01 -0.228679D+01
      5   0.553349D+01  0.427153D+01  0.326972D+01  0.280113D+02 -0.226756D+01
      6   0.426545D+01  0.270611D+01 -0.306459D+01 -0.656137D+01  0.446679D+01
                81            82            83            84            85 
      1  -0.309187D+01  0.570288D+02 -0.594330D+02 -0.234746D-01  0.762719D+01
      2  -0.754844D+01 -0.336918D+02  0.460249D+02 -0.222315D+01 -0.167015D+02
      3   0.106403D+02 -0.233369D+02  0.134081D+02  0.224663D+01  0.907428D+01
      4   0.361749D+01 -0.494627D+02 -0.169920D+00  0.452739D+01  0.222339D+02
      5  -0.390810D+01  0.539767D+01  0.417578D+01 -0.313286D+01 -0.320564D+01
      6   0.312685D+01  0.286938D+01  0.289061D+01 -0.229707D+00  0.143377D+01
                86            87            88            89            90 
      1   0.313972D+02 -0.962670D+00 -0.595181D+01  0.606859D+01 -0.816292D+01
      2  -0.352884D+02  0.504415D+01  0.292293D+01  0.557159D+00 -0.672226D+01
      3   0.389124D+01 -0.408148D+01  0.302888D+01 -0.662575D+01  0.148852D+02
      4  -0.483291D+01 -0.299446D+00  0.524228D+01  0.175320D+01  0.334043D+01
      5   0.288981D+00  0.589100D+01  0.293878D+01  0.882241D+01 -0.848424D+00
      6   0.103296D+01  0.372217D+01  0.182133D+01  0.644318D+01 -0.263116D+01
                91            92            93            94            95 
      1   0.203775D+02  0.105771D+02 -0.553448D+01 -0.473835D+00 -0.136534D+02
      2  -0.141217D+02 -0.441777D+01 -0.443200D+01  0.107365D+02  0.246297D+01
      3  -0.625581D+01 -0.615932D+01  0.996648D+01 -0.102627D+02  0.111904D+02
      4  -0.200347D+01 -0.170558D+02 -0.332363D+01 -0.314230D+02  0.319302D+02
      5   0.194392D+01 -0.357855D+01 -0.128381D+02  0.475016D+01  0.588736D+01
      6  -0.433618D+01  0.309531D+01 -0.333094D+01  0.542416D+01 -0.543607D+01
                96            97            98            99           100 
      1  -0.541035D+01 -0.117944D+02 -0.349576D+01 -0.124248D+02 -0.845886D+01
      2  -0.662834D+01  0.105397D+01 -0.418879D+00  0.885497D+01  0.256086D+01
      3   0.120387D+02  0.107404D+02  0.391464D+01  0.356987D+01  0.589800D+01
      4   0.465302D+01 -0.282406D+01  0.946680D+00 -0.250526D+02  0.303502D+02
      5  -0.249955D+02 -0.518752D+02 -0.199492D+02  0.886989D+01 -0.240065D+01
      6  -0.415621D+01 -0.986930D+01 -0.505627D+01  0.341363D+01 -0.529740D+00
               101           102           103           104           105 
      1   0.391675D+02  0.147156D+01  0.398633D+01  0.105452D+02 -0.396624D+01
      2  -0.233590D+02  0.121140D+01  0.140062D+01 -0.424892D+01  0.278196D+01
      3  -0.158085D+02 -0.268296D+01 -0.538696D+01 -0.629625D+01  0.118428D+01
      4   0.376822D+01 -0.557475D+00  0.334401D+02  0.135765D+02 -0.432440D+01
      5  -0.616533D+00  0.245725D+02 -0.550887D+01 -0.281955D+01 -0.137894D+02
      6  -0.213911D+01 -0.640254D+01 -0.161618D+01  0.163140D+00  0.928473D+01
               106           107           108           109           110 
      1   0.154872D+01 -0.420102D+01  0.840926D+00 -0.782648D+02 -0.453749D+02
      2   0.711848D+00  0.338882D+01  0.362918D+00  0.463566D+02  0.234692D+02
      3  -0.226057D+01  0.812202D+00 -0.120384D+01  0.319082D+02  0.219057D+02
      4  -0.499978D+01 -0.600589D+00  0.610998D+01 -0.445679D+02  0.776506D+01
      5   0.730583D+01  0.466510D+01 -0.377870D+01  0.104663D+02  0.948321D+01
      6   0.252875D+01  0.368114D+01 -0.152902D+01  0.264194D+01 -0.168355D+01
               111           112           113           114           115 
      1   0.105181D+02 -0.540388D+02  0.490753D+01  0.195195D+02  0.988852D+01
      2  -0.653293D+01  0.259297D+02 -0.325384D+01 -0.916429D+01 -0.489220D+01
      3  -0.398518D+01  0.281091D+02 -0.165369D+01 -0.103552D+02 -0.499631D+01
      4   0.866821D+01 -0.206580D+02  0.260825D+02  0.102775D+02  0.111690D+02
      5  -0.951758D+01  0.145207D+02  0.990908D+01  0.768456D+02 -0.268926D+02
      6   0.144859D+01  0.688467D+00 -0.530360D+01 -0.212852D+02  0.110953D+02
               116           117           118           119           120 
      1   0.149370D+02  0.326529D+00  0.365559D+02 -0.143565D+02 -0.165396D+01
      2  -0.765291D+01 -0.278673D+01 -0.120318D+02  0.284129D+00  0.836541D+00
      3  -0.728408D+01  0.246020D+01 -0.245242D+02  0.140723D+02  0.817420D+00
      4   0.602714D+01  0.514090D+02 -0.326419D+02  0.264738D+02  0.297302D+00
      5   0.544361D+02 -0.170864D+02 -0.178085D+00 -0.920414D+00  0.312526D+01
      6  -0.164365D+02  0.673196D-01  0.370838D+00  0.517106D-01 -0.182916D+01
               121           122           123           124           125 
      1  -0.171966D+02  0.619934D+01  0.779419D-01 -0.244861D+01  0.446891D+00
      2  -0.344871D+01  0.146443D+02 -0.240109D-02  0.215048D+01 -0.112148D+01
      3   0.206453D+02 -0.208436D+02 -0.755408D-01  0.298136D+00  0.674585D+00
      4   0.386933D+02 -0.435881D+02  0.703981D+00 -0.100225D+01  0.175899D+01
      5  -0.258948D+01  0.290587D+01 -0.466016D+01 -0.152869D+01 -0.119652D+01
      6   0.130531D+01 -0.133172D+01  0.435778D+01  0.892279D+00  0.145936D+01
               126           127           128           129           130 
      1  -0.115442D+01  0.385124D+01  0.812637D+01 -0.639477D+00  0.517583D+01
      2   0.134805D+01  0.363906D+01  0.142126D+01  0.241375D-01  0.775696D+01
      3  -0.193631D+00 -0.749030D+01 -0.954763D+01  0.615340D+00 -0.129328D+02
      4  -0.186639D+01  0.235653D+02  0.230273D+02 -0.373523D+01  0.307045D+02
      5   0.577598D+00 -0.222490D+01 -0.265205D+01  0.390211D+01 -0.297732D+01
      6  -0.498603D+00 -0.165164D+01 -0.198208D+01  0.234785D+01 -0.255351D+01
               131           132           133           134           135 
      1  -0.109079D+02  0.130011D+01 -0.496564D+00  0.102154D+00 -0.823806D+00
      2   0.284433D+02 -0.224966D+01 -0.551220D+00 -0.228232D+01  0.249015D+01
      3  -0.175354D+02  0.949554D+00  0.104778D+01  0.218017D+01 -0.166635D+01
      4   0.537240D+02 -0.670145D+01 -0.496341D+01 -0.758596D+01  0.250083D+01
      5  -0.421785D+01  0.621878D+01  0.267011D+01  0.726320D+00 -0.141613D+01
      6  -0.546077D+01  0.660618D+01  0.300339D+01  0.290927D+01 -0.180447D+01
               136           137           138           139           140 
      1  -0.698215D+01 -0.154786D+02  0.257817D+01 -0.736273D+01 -0.470362D+02
      2   0.736959D+01  0.149798D+02 -0.177500D+01  0.731876D+01  0.568568D+02
      3  -0.387435D+00  0.498817D+00 -0.803170D+00  0.439718D-01 -0.982064D+01
      4  -0.377458D+00  0.487646D+01 -0.289035D-01  0.241091D+01 -0.132277D+02
      5   0.529044D+00  0.444304D+00  0.986190D+00  0.223708D+00  0.386857D+01
      6  -0.140786D+01 -0.288846D+01  0.220612D+01 -0.104810D+01 -0.917126D+01
               141           142           143           144           145 
      1   0.559844D+01  0.171062D+01  0.672800D+01 -0.188721D+01 -0.574352D+01
      2  -0.504703D+01 -0.136698D+01 -0.684322D+01  0.233909D+01  0.957803D+01
      3  -0.551410D+00 -0.343638D+00  0.115222D+00 -0.451882D+00 -0.383451D+01
      4   0.180276D+01  0.211799D+00  0.121411D+01  0.165104D+01  0.785629D+01
      5  -0.182384D+01  0.150203D+01  0.454686D+00 -0.279562D+00  0.112055D+00
      6   0.723817D+01  0.333646D+00  0.316275D+01 -0.175422D+01 -0.105904D+01
               146           147           148           149           150 
      1  -0.108462D+02  0.197526D+01 -0.820337D+01 -0.524619D+02  0.566536D+01
      2   0.165875D+02 -0.203955D+01  0.114335D+02  0.749943D+02 -0.667023D+01
      3  -0.574129D+01  0.642844D-01 -0.323014D+01 -0.225324D+02  0.100487D+01
      4   0.160780D+02 -0.161052D+01  0.961848D+01  0.210956D+02 -0.182571D+01
      5  -0.995085D-01  0.210739D+01 -0.224268D+00  0.113871D+01  0.114348D+01
      6  -0.218571D+01  0.270329D+01 -0.900910D+00 -0.595059D+01  0.817327D+01
               151           152           153           154           155 
      1   0.141476D+01  0.711377D+01 -0.181950D+01  0.238773D+01  0.523985D+01
      2  -0.199803D+01 -0.904785D+01  0.268018D+01  0.103497D+02 -0.159275D+02
      3   0.583263D+00  0.193408D+01 -0.860684D+00 -0.127374D+02  0.106877D+02
      4  -0.122326D+01 -0.358691D+01  0.211393D+01 -0.288293D+02  0.253425D+02
      5  -0.764881D-01  0.192336D+01 -0.875405D+00 -0.148970D+01  0.423145D+00
      6  -0.407865D+00  0.336356D+01 -0.185791D+01  0.247307D+01 -0.208862D+01
               156           157           158           159           160 
      1   0.153686D+00  0.948712D+01 -0.194992D+02 -0.317196D-01 -0.197803D+01
      2  -0.423958D-02 -0.222515D+02  0.365200D+02 -0.222395D-01  0.216436D+01
      3  -0.149446D+00  0.127644D+02 -0.170208D+02  0.539592D-01 -0.186330D+00
      4   0.563561D+00  0.279919D+02 -0.342787D+02  0.278794D+00 -0.451493D+00
      5   0.349200D+01 -0.760162D+00  0.328858D+00 -0.355622D+01 -0.739421D-01
      6  -0.341851D+01 -0.866660D+00  0.214495D+01  0.545646D+01  0.163464D+01
               161           162           163           164           165 
      1   0.155130D+01 -0.996655D-01  0.530492D+01  0.940004D+00  0.359368D+00
      2  -0.212937D+01  0.156768D+01 -0.237960D+01  0.207189D+00  0.237639D+00
      3   0.578064D+00 -0.146802D+01 -0.292533D+01 -0.114719D+01 -0.597007D+00
      4   0.124440D+01 -0.208192D+01  0.810228D+01  0.869451D+01 -0.746934D+00
      5  -0.188562D+01  0.535064D+00 -0.611817D+00 -0.119870D+01  0.298003D+01
      6   0.257338D+01 -0.848293D+00 -0.118826D+01 -0.110203D+01  0.129360D+01
               166           167           168           169           170 
      1  -0.326124D+01 -0.160239D+02  0.260322D+01  0.166855D+01  0.155537D+01
      2   0.523440D+01  0.192200D+02 -0.119357D+01 -0.706463D+00 -0.129977D+01
      3  -0.197317D+01 -0.319611D+01 -0.140965D+01 -0.962088D+00 -0.255610D+00
      4   0.119944D+02  0.168439D+02 -0.190855D+01 -0.297992D+00 -0.142559D+01
      5  -0.193552D+01 -0.142644D+01  0.344125D+01  0.378609D+01  0.994872D+00
      6  -0.279077D+01 -0.613810D+01  0.532895D+01  0.268091D+01  0.285655D+01
               171           172           173           174           175 
      1  -0.182229D+01  0.154269D+02 -0.134941D+02 -0.810494D+00 -0.182182D+02
      2   0.218525D+01 -0.264686D+01  0.398561D+01  0.840442D+00  0.508947D+01
      3  -0.362957D+00 -0.127801D+02  0.950849D+01 -0.299482D-01  0.131287D+02
      4   0.225194D+01 -0.232996D+02  0.196093D+02  0.275102D+01  0.252615D+02
      5   0.102073D+00 -0.385353D+01  0.368231D+01  0.838197D+01  0.620839D+01
      6  -0.101685D+01  0.413714D+01 -0.281300D+01 -0.612392D+00 -0.402947D+01
               176           177           178           179           180 
      1   0.599538D+01  0.570441D+00  0.529431D-01  0.119015D+01  0.336697D+01
      2   0.981483D+01  0.120255D+00  0.961901D+00 -0.129935D+01 -0.157935D+01
      3  -0.158102D+02 -0.690696D+00 -0.101484D+01  0.109202D+00 -0.178762D+01
      4  -0.427056D+02 -0.398162D+01  0.387603D+01 -0.324865D+01 -0.562561D+01
      5  -0.509365D+01 -0.769452D+01  0.115443D+02 -0.503495D+01 -0.309643D+01
      6   0.863718D+01  0.420642D+01 -0.201246D+01  0.578664D+01  0.210102D+01
               181           182           183           184           185 
      1  -0.884575D+02 -0.153223D+02  0.317981D+02 -0.951852D+01  0.232876D+02
      2   0.480952D+02  0.141718D+02 -0.448459D+01  0.419574D+01 -0.167402D+02
      3   0.403624D+02  0.115049D+01 -0.273135D+02  0.532277D+01 -0.654739D+01
      4  -0.179073D+02  0.130932D+02  0.625907D+01  0.190387D+02 -0.177862D+02
      5   0.426187D+02  0.824574D+01  0.125289D+02 -0.141539D+01 -0.563742D+01
      6   0.409879D+01 -0.831151D+01 -0.834805D+00 -0.943522D+01  0.105460D+02
               186           187           188           189           190 
      1   0.172598D+02  0.122003D+02  0.128829D+02  0.243106D+02 -0.162455D+02
      2   0.962344D+01  0.740555D+01  0.511819D+01 -0.176546D+01  0.180053D+02
      3  -0.268832D+02 -0.196058D+02 -0.180011D+02 -0.225451D+02 -0.175978D+01
      4   0.873019D+00 -0.527046D+01  0.129098D+01  0.275749D+02  0.163228D+02
      5   0.326655D+02  0.286796D+02  0.212248D+02 -0.776164D+01 -0.271054D+02
      6   0.223689D+01  0.586316D+01  0.169432D+01 -0.180694D+02  0.525172D+01
               191           192           193           194           195 
      1   0.679353D+01 -0.107214D+02  0.241867D+02  0.186197D+01  0.123773D+02
      2  -0.493489D+01  0.154876D+02 -0.261675D+02 -0.565392D+01 -0.156100D+02
      3  -0.185864D+01 -0.476623D+01  0.198078D+01  0.379196D+01  0.323267D+01
      4   0.897032D+00  0.926399D+01  0.189079D+01 -0.506517D+01 -0.333724D+01
      5   0.977628D+01 -0.115985D+02  0.205858D+02 -0.552996D+01  0.348276D+02
      6  -0.493830D+01  0.589175D+01  0.560818D+00  0.578220D+00 -0.231886D+01
               196           197           198           199           200 
      1  -0.282445D+02  0.103080D+02 -0.561342D+01  0.195498D+03  0.236069D+02
      2   0.227292D+02 -0.104194D+02  0.166601D+02 -0.104009D+03 -0.133330D+02
      3   0.551525D+01  0.111364D+00 -0.110467D+02 -0.914888D+02 -0.102739D+02
      4   0.191840D+02 -0.170384D+02  0.265581D+02  0.227918D+02  0.167516D+02
      5  -0.141509D+02  0.247383D+02 -0.177356D+02 -0.208556D+02 -0.273384D+01
      6   0.964450D+01 -0.537373D+01  0.113438D+02 -0.297985D+00 -0.692902D+00
               201           202           203           204           205 
      1  -0.165588D+02  0.639052D+02  0.225937D+02 -0.634414D+01 -0.205570D+02
      2   0.100181D+02 -0.345004D+02 -0.116294D+02  0.396750D+01  0.126333D+02
      3   0.654069D+01 -0.294048D+02 -0.109644D+02  0.237664D+01  0.792368D+01
      4  -0.234877D+01  0.270988D+02  0.180066D+02 -0.388969D+01 -0.321932D+01
      5   0.190805D+02 -0.740169D+01 -0.409483D+01  0.488629D+01  0.267691D+02
      6  -0.391804D+00 -0.121359D+01 -0.673286D+00  0.201023D+01 -0.323392D+00
               206           207           208           209           210 
      1  -0.367834D+01  0.185481D+02  0.145178D+01 -0.527846D+01 -0.135849D+02
      2   0.235451D+01 -0.111327D+02 -0.102188D+01  0.282399D+01  0.591188D+01
      3   0.132383D+01 -0.741544D+01 -0.429904D+00  0.245447D+01  0.767301D+01
      4  -0.346139D+01 -0.969736D+00 -0.222375D+01 -0.808027D+00  0.152410D+01
      5  -0.106509D+01 -0.597319D+01 -0.109190D+02  0.711194D+00 -0.279768D+01
      6   0.281149D+01 -0.738398D-01  0.295233D+01  0.937528D+00  0.210349D+01
               211           212           213           214           215 
      1  -0.136918D+02  0.195855D+00 -0.197368D+01 -0.286233D+02  0.225031D-01
      2   0.559652D+01  0.621896D+01  0.250109D+01  0.158538D+02  0.536173D+00
      3   0.809525D+01 -0.641482D+01 -0.527418D+00  0.127695D+02 -0.558676D+00
      4   0.261105D+02 -0.425523D+02 -0.284760D+02  0.183882D+02 -0.284894D+02
      5   0.148085D+02 -0.287092D+02 -0.359906D+02  0.285595D+02 -0.347800D+02
      6  -0.680074D+01  0.138244D+02  0.143805D+02 -0.910380D+01  0.144617D+02
               216           217           218           219           220 
      1  -0.152053D+01  0.163100D+02 -0.554725D+01  0.148880D+02 -0.131374D+02
      2  -0.545383D+01 -0.836657D+01  0.240481D+01 -0.693987D+01  0.472448D+01
      3   0.697436D+01 -0.794346D+01  0.314244D+01 -0.794810D+01  0.841292D+01
      4  -0.327785D+02 -0.605485D+01  0.328114D+01 -0.734792D+01  0.246693D+02
      5  -0.474712D+02  0.171345D+02 -0.676357D+01  0.459900D+01 -0.172446D+02
      6   0.158344D+02 -0.407665D+01  0.135574D+01  0.141456D+00  0.463241D+01
               221           222           223           224           225 
      1   0.721430D+01 -0.746034D+01  0.421979D+02 -0.109798D+02  0.102867D+02
      2   0.108912D+01  0.100328D+01 -0.230409D+02  0.373724D+01 -0.998129D+01
      3  -0.830343D+01  0.645706D+01 -0.191571D+02  0.724253D+01 -0.305438D+00
      4  -0.295959D+02  0.202737D+02 -0.243839D+02  0.247482D+02 -0.299359D+02
      5   0.213086D+02 -0.311006D+02  0.380310D+02 -0.326136D+02  0.637226D+02
      6  -0.677035D+01  0.103802D+02 -0.911103D+01  0.108220D+02 -0.136394D+02
               226           227           228           229           230 
      1  -0.117864D+01 -0.373711D+01 -0.195921D+02 -0.598355D+01 -0.113728D+02
      2  -0.364747D+01 -0.547493D+00 -0.924789D+00  0.385028D+01  0.961729D+00
      3   0.482611D+01  0.428460D+01  0.205169D+02  0.213327D+01  0.104111D+02
      4  -0.198739D+01 -0.386317D+01 -0.297605D+01 -0.200755D+01 -0.768212D+01
      5  -0.558875D+01 -0.493508D+00 -0.714197D+01  0.561675D+01 -0.781897D+01
      6   0.180665D+01  0.361095D+01  0.161791D+01  0.130488D+01  0.689969D+01
               231           232           233           234           235 
      1  -0.133555D+02 -0.114221D+02 -0.908862D+01 -0.366276D+02 -0.175652D+00
      2  -0.743878D+01  0.456840D+01 -0.408508D+01 -0.192819D+02  0.275829D+01
      3   0.207943D+02  0.685371D+01  0.131737D+02  0.559094D+02 -0.258264D+01
      4  -0.109659D+02 -0.126606D+01 -0.905676D+01 -0.135751D+02  0.446869D+01
      5  -0.221003D+02  0.667877D+01 -0.992938D+01 -0.446002D+02  0.592456D+00
      6   0.100463D+02  0.697395D+00  0.831429D+01  0.823489D+01 -0.300020D+01
               236           237           238           239           240 
      1   0.106274D+02 -0.586926D+01  0.125914D+02 -0.211142D+02  0.420755D+01
      2  -0.803176D+01 -0.349628D+00 -0.784820D+01  0.228194D+02 -0.493655D+00
      3  -0.259567D+01  0.621889D+01 -0.474315D+01 -0.170524D+01 -0.371389D+01
      4  -0.558461D+01  0.119313D+01  0.360292D+01  0.341077D+02 -0.730087D+01
      5  -0.148575D+01 -0.474639D+01 -0.826138D+01 -0.301568D+01  0.891525D+01
      6   0.563755D+01 -0.253697D+01  0.543342D+00 -0.222053D+02  0.888100D+01
               241           242           243           244           245 
      1   0.543465D+00  0.248305D+01 -0.834683D+01  0.121888D+03  0.114145D+02
      2  -0.211584D+01 -0.762481D+00  0.357291D+01 -0.704066D+02 -0.580006D+01
      3   0.157237D+01 -0.172057D+01  0.477393D+01 -0.514811D+02 -0.561444D+01
      4   0.108219D+01 -0.169261D+01  0.239795D+01  0.260942D+02  0.149272D+02
      5  -0.293428D+01  0.243730D+01  0.210802D+01 -0.685334D+02 -0.841859D+01
      6  -0.865481D+00  0.539818D+01 -0.135432D+01 -0.637323D+01 -0.514018D+01
               246           247           248           249           250 
      1  -0.239697D+02  0.811890D+01  0.857698D+01 -0.292664D+01 -0.806216D+01
      2   0.200327D+02 -0.347941D+01 -0.337838D+01  0.301353D+00  0.979425D+01
      3   0.393698D+01 -0.463949D+01 -0.519860D+01  0.262528D+01 -0.173210D+01
      4  -0.696656D+01  0.172439D+02  0.732802D+01 -0.494056D+01 -0.213085D+01
      5   0.313418D+02 -0.529017D+01 -0.675960D+01  0.357369D-02  0.217436D+02
      6   0.396185D+01 -0.559850D+01 -0.309240D+01  0.320791D+01  0.272541D+01
               251           252           253           254           255 
      1  -0.182180D+01  0.958535D+01  0.699709D+02 -0.223062D+02  0.318795D+02
      2   0.338286D+00 -0.102609D+02 -0.450910D+02  0.132495D+02 -0.236576D+02
      3   0.148352D+01  0.675526D+00 -0.248799D+02  0.905666D+01 -0.822196D+01
      4  -0.191287D+01  0.609663D+00 -0.259829D+02  0.196789D+02 -0.883255D+01
      5   0.116288D+01 -0.126586D+02  0.525226D+02 -0.126811D+02  0.366770D+02
      6   0.186478D+01 -0.241887D+00 -0.758231D+01  0.665947D+01 -0.419504D+01
               256           257           258           259           260 
      1  -0.338460D+02  0.123965D+02 -0.672399D+01  0.391739D+02 -0.562635D+01
      2   0.237217D+02 -0.812193D+01  0.123513D+02 -0.362068D+02  0.112309D+02
      3   0.101243D+02 -0.427454D+01 -0.562732D+01 -0.296707D+01 -0.560456D+01
      4   0.259489D+02 -0.343267D+02  0.233430D+02 -0.150041D+02  0.255360D+02
      5  -0.255110D+02  0.236139D+02 -0.298217D+02  0.614028D+02 -0.254311D+02
      6   0.101343D+02 -0.135941D+02  0.142499D+02 -0.528607D+01  0.151244D+02
               261           262           263           264           265 
      1   0.127411D+02 -0.424901D+01  0.110808D+02  0.573679D-01  0.839432D+01
      2  -0.386385D+02  0.611587D+01 -0.486477D+01  0.338339D+00 -0.356706D-01
      3   0.258974D+02 -0.186686D+01 -0.621600D+01 -0.395706D+00 -0.835865D+01
      4  -0.246647D+02  0.108324D+01 -0.102170D+01 -0.108549D+02  0.110298D+02
      5   0.710563D+02 -0.972740D+01 -0.713339D+01 -0.995008D+01 -0.675794D+01
      6  -0.128848D+02 -0.244567D+01 -0.547599D+01 -0.772409D+01 -0.441378D+01
               266           267           268           269           270 
      1  -0.107905D+02 -0.472141D+01 -0.834901D+01 -0.540880D+01 -0.769622D+01
      2   0.276596D+02  0.403937D+01  0.428118D+01  0.123743D+01  0.623774D+01
      3  -0.168691D+02  0.682039D+00  0.406783D+01  0.417137D+01  0.145848D+01
      4   0.320394D+02 -0.836060D+01 -0.194813D+02 -0.209554D+02 -0.154184D+02
      5  -0.835701D+01 -0.810749D+01 -0.171986D+02 -0.138907D+02 -0.341820D+02
      6   0.521121D+01  0.897780D+00 -0.114969D+02 -0.500442D+01 -0.153350D+02
               271           272           273           274           275 
      1   0.849557D+01  0.621344D+01  0.697375D+01  0.370832D+01 -0.200752D+01
      2  -0.425279D+01 -0.267897D+01 -0.424415D+01  0.256852D+00  0.497685D+01
      3  -0.424278D+01 -0.353447D+01 -0.272960D+01 -0.396517D+01 -0.296933D+01
      4   0.151702D+02  0.134163D+02  0.117832D+02  0.124079D+02  0.197081D+02
      5   0.137434D+02  0.103923D+02  0.149288D+02  0.798852D+01  0.114821D+02
      6   0.769593D+01  0.576382D+01  0.670610D+01  0.582485D+01  0.105855D+02
               276           277           278           279 
      1  -0.129999D+01  0.717018D+01 -0.149987D+01 -0.173266D+01
      2   0.238306D+01 -0.612044D+01  0.132021D+00 -0.593803D+01
      3  -0.108307D+01 -0.104974D+01  0.136785D+01  0.767068D+01
      4   0.123102D+02  0.197107D+02  0.257121D+02  0.267824D+02
      5   0.125835D+02  0.245961D+02  0.243274D+02  0.388261D+02
      6   0.940171D+01  0.126664D+02  0.172135D+02  0.220313D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Sep 23 19:44:46 2021, MaxMem=  5368709120 cpu:          173697.7 elap:           21715.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.52680 -19.50771 -19.47125 -10.58066 -10.50753
 Alpha  occ. eigenvalues --  -10.49446 -10.46435 -10.45649 -10.45522 -10.45277
 Alpha  occ. eigenvalues --  -10.45090 -10.45075 -10.44622 -10.44566 -10.44436
 Alpha  occ. eigenvalues --  -10.43882 -10.43771  -1.25881  -1.21274  -1.15824
 Alpha  occ. eigenvalues --   -1.02988  -0.98627  -0.94337  -0.92118  -0.88188
 Alpha  occ. eigenvalues --   -0.87491  -0.82833  -0.80501  -0.77140  -0.74454
 Alpha  occ. eigenvalues --   -0.73314  -0.71240  -0.65946  -0.64380  -0.63868
 Alpha  occ. eigenvalues --   -0.62099  -0.60274  -0.59979  -0.59293  -0.58402
 Alpha  occ. eigenvalues --   -0.56595  -0.56127  -0.54881  -0.53823  -0.53425
 Alpha  occ. eigenvalues --   -0.52238  -0.51923  -0.50660  -0.49961  -0.49024
 Alpha  occ. eigenvalues --   -0.47332  -0.47144  -0.45362  -0.45204  -0.43804
 Alpha  occ. eigenvalues --   -0.42747  -0.42234  -0.40108  -0.38187  -0.33290
 Alpha  occ. eigenvalues --   -0.29716
 Alpha virt. eigenvalues --   -0.01556  -0.00929  -0.00592   0.00067   0.00285
 Alpha virt. eigenvalues --    0.00724   0.01059   0.01668   0.01874   0.02101
 Alpha virt. eigenvalues --    0.02347   0.03553   0.03855   0.04274   0.04572
 Alpha virt. eigenvalues --    0.04952   0.05358   0.05692   0.06146   0.06983
 Alpha virt. eigenvalues --    0.07213   0.07618   0.07907   0.08670   0.08947
 Alpha virt. eigenvalues --    0.09268   0.09689   0.09920   0.10109   0.10623
 Alpha virt. eigenvalues --    0.10663   0.11034   0.11407   0.11711   0.12286
 Alpha virt. eigenvalues --    0.12693   0.13079   0.13219   0.13436   0.13757
 Alpha virt. eigenvalues --    0.13932   0.14137   0.14286   0.14761   0.15557
 Alpha virt. eigenvalues --    0.16028   0.16238   0.16584   0.16844   0.17214
 Alpha virt. eigenvalues --    0.17930   0.18286   0.18752   0.19014   0.19293
 Alpha virt. eigenvalues --    0.19542   0.19606   0.19759   0.20630   0.21099
 Alpha virt. eigenvalues --    0.22124   0.22491   0.23159   0.23817   0.24077
 Alpha virt. eigenvalues --    0.24971   0.25592   0.25897   0.26271   0.26655
 Alpha virt. eigenvalues --    0.27017   0.27135   0.27425   0.27873   0.28110
 Alpha virt. eigenvalues --    0.28266   0.28487   0.28617   0.29228   0.29604
 Alpha virt. eigenvalues --    0.30127   0.30308   0.30520   0.31068   0.31181
 Alpha virt. eigenvalues --    0.31744   0.32373   0.32492   0.32863   0.33086
 Alpha virt. eigenvalues --    0.33308   0.33933   0.34364   0.34967   0.35417
 Alpha virt. eigenvalues --    0.35537   0.35735   0.36104   0.36462   0.36895
 Alpha virt. eigenvalues --    0.37121   0.37723   0.38356   0.38817   0.39442
 Alpha virt. eigenvalues --    0.39679   0.40322   0.40905   0.40974   0.41141
 Alpha virt. eigenvalues --    0.41748   0.42144   0.42500   0.42859   0.43124
 Alpha virt. eigenvalues --    0.43665   0.44514   0.44879   0.45523   0.46046
 Alpha virt. eigenvalues --    0.46118   0.46870   0.47091   0.47694   0.48343
 Alpha virt. eigenvalues --    0.48865   0.49060   0.49730   0.50245   0.50897
 Alpha virt. eigenvalues --    0.51195   0.52272   0.52503   0.52813   0.53083
 Alpha virt. eigenvalues --    0.53268   0.54288   0.54523   0.54667   0.54796
 Alpha virt. eigenvalues --    0.55486   0.56013   0.56456   0.56571   0.57247
 Alpha virt. eigenvalues --    0.57474   0.57632   0.57879   0.58619   0.58981
 Alpha virt. eigenvalues --    0.59842   0.60158   0.60944   0.60987   0.61150
 Alpha virt. eigenvalues --    0.61654   0.62101   0.62273   0.62747   0.63393
 Alpha virt. eigenvalues --    0.63778   0.64343   0.64603   0.64882   0.65604
 Alpha virt. eigenvalues --    0.66130   0.66331   0.66700   0.67299   0.67653
 Alpha virt. eigenvalues --    0.67747   0.68702   0.69029   0.69061   0.69661
 Alpha virt. eigenvalues --    0.70250   0.70675   0.71057   0.71756   0.72053
 Alpha virt. eigenvalues --    0.72316   0.72519   0.73003   0.73512   0.73880
 Alpha virt. eigenvalues --    0.74023   0.74715   0.75687   0.76048   0.76658
 Alpha virt. eigenvalues --    0.77187   0.78006   0.79195   0.79506   0.80008
 Alpha virt. eigenvalues --    0.80628   0.81030   0.81295   0.82489   0.82901
 Alpha virt. eigenvalues --    0.82920   0.83197   0.83521   0.83897   0.85027
 Alpha virt. eigenvalues --    0.85180   0.85684   0.85854   0.86778   0.87226
 Alpha virt. eigenvalues --    0.87681   0.88416   0.89359   0.89606   0.90489
 Alpha virt. eigenvalues --    0.91046   0.91717   0.92154   0.92700   0.93667
 Alpha virt. eigenvalues --    0.94272   0.94854   0.95050   0.96154   0.96667
 Alpha virt. eigenvalues --    0.97336   0.98293   0.98875   0.99392   0.99996
 Alpha virt. eigenvalues --    1.01080   1.02362   1.03206   1.03949   1.04488
 Alpha virt. eigenvalues --    1.05004   1.07089   1.07529   1.08220   1.10370
 Alpha virt. eigenvalues --    1.10570   1.12634   1.13311   1.13664   1.14543
 Alpha virt. eigenvalues --    1.15357   1.16387   1.16828   1.17670   1.18593
 Alpha virt. eigenvalues --    1.19895   1.19976   1.21762   1.22362   1.23744
 Alpha virt. eigenvalues --    1.24436   1.24839   1.25849   1.26369   1.27412
 Alpha virt. eigenvalues --    1.27981   1.29809   1.32005   1.32905   1.34034
 Alpha virt. eigenvalues --    1.34664   1.36018   1.36692   1.37688   1.39070
 Alpha virt. eigenvalues --    1.39752   1.40161   1.40753   1.41159   1.41944
 Alpha virt. eigenvalues --    1.43347   1.44628   1.45074   1.46845   1.47252
 Alpha virt. eigenvalues --    1.48186   1.49102   1.49594   1.50988   1.51951
 Alpha virt. eigenvalues --    1.52780   1.54019   1.54383   1.54551   1.56114
 Alpha virt. eigenvalues --    1.56707   1.57422   1.58645   1.59008   1.60431
 Alpha virt. eigenvalues --    1.60609   1.60940   1.61887   1.62473   1.63517
 Alpha virt. eigenvalues --    1.63930   1.64771   1.65987   1.66434   1.66826
 Alpha virt. eigenvalues --    1.67059   1.68461   1.69600   1.70261   1.71169
 Alpha virt. eigenvalues --    1.71716   1.72182   1.72478   1.73197   1.74579
 Alpha virt. eigenvalues --    1.75345   1.75971   1.76146   1.76811   1.78273
 Alpha virt. eigenvalues --    1.78694   1.80416   1.81503   1.81895   1.82726
 Alpha virt. eigenvalues --    1.83601   1.84151   1.84788   1.85777   1.87247
 Alpha virt. eigenvalues --    1.88555   1.89550   1.89786   1.91349   1.92406
 Alpha virt. eigenvalues --    1.93577   1.94133   1.95158   1.95755   1.96345
 Alpha virt. eigenvalues --    1.97644   1.98569   1.98829   1.99635   2.00523
 Alpha virt. eigenvalues --    2.01114   2.02099   2.02811   2.03032   2.04256
 Alpha virt. eigenvalues --    2.04511   2.05760   2.06190   2.07061   2.07924
 Alpha virt. eigenvalues --    2.08329   2.09340   2.09971   2.10672   2.12387
 Alpha virt. eigenvalues --    2.12799   2.13698   2.13934   2.15310   2.15618
 Alpha virt. eigenvalues --    2.16802   2.17679   2.17953   2.18945   2.19563
 Alpha virt. eigenvalues --    2.20180   2.20531   2.21117   2.22295   2.24553
 Alpha virt. eigenvalues --    2.25638   2.26218   2.28462   2.28852   2.31347
 Alpha virt. eigenvalues --    2.32185   2.32404   2.32925   2.33917   2.35686
 Alpha virt. eigenvalues --    2.37226   2.38359   2.39424   2.39682   2.40854
 Alpha virt. eigenvalues --    2.43473   2.44622   2.45848   2.47422   2.49708
 Alpha virt. eigenvalues --    2.50357   2.50939   2.53821   2.55426   2.56577
 Alpha virt. eigenvalues --    2.57730   2.61123   2.62848   2.64331   2.65984
 Alpha virt. eigenvalues --    2.67808   2.69389   2.69926   2.72261   2.73074
 Alpha virt. eigenvalues --    2.75019   2.76206   2.78173   2.79008   2.81255
 Alpha virt. eigenvalues --    2.84505   2.86894   2.87578   2.90933   2.93379
 Alpha virt. eigenvalues --    2.97992   2.99772   3.01722   3.06274   3.08485
 Alpha virt. eigenvalues --    3.13635   3.21139   3.24305   3.27002   3.41386
 Alpha virt. eigenvalues --    3.42311   3.43761   3.46417   3.47867   3.48800
 Alpha virt. eigenvalues --    3.49284   3.51031   3.52843   3.55457   3.58308
 Alpha virt. eigenvalues --    3.59439   3.59764   3.61705   3.64090   3.66863
 Alpha virt. eigenvalues --    3.75908   3.80088   3.85205   3.88754   3.96507
 Alpha virt. eigenvalues --    4.09570   4.44706   4.66256
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   28.066047  -5.088268  -6.636948   0.263461 -13.027234   1.861113
     2  C   -5.088268  33.403506   2.487452 -15.406834   0.464074  -9.361214
     3  C   -6.636948   2.487452  58.087681 -11.748320  -8.619985 -16.130129
     4  C    0.263461 -15.406834 -11.748320  62.780526 -16.042145  -9.165692
     5  C  -13.027234   0.464074  -8.619985 -16.042145  60.939231 -13.645471
     6  C    1.861113  -9.361214 -16.130129  -9.165692 -13.645471  62.689716
     7  C   -0.226140  -0.706509  -5.329571 -11.805809   1.271658  -2.412828
     8  C    0.104213   0.500613  -0.562881   4.500937  -2.241889   0.397702
     9  C    0.413432   0.323792   0.230959  -0.776211   1.962330  -5.008952
    10  C   -0.294803  -1.218230  -2.008523   2.335789 -10.075196  -0.440218
    11  C    0.130766   0.120084  -1.070272  -1.456675   1.486255   0.641089
    12  O   -0.633677   0.854726   0.296084  -0.481654   0.177004  -0.096987
    13  C    0.079118   0.044293  -0.345838   0.141032  -0.040105  -0.112366
    14  H    1.216920  -2.876026   0.223969   0.084643  -0.225309   0.746730
    15  H    0.439310  -0.345949  -3.964484   2.531488  -0.146222   0.139923
    16  H   -0.369966   1.647102   0.060338  -0.454557   2.175878  -3.968238
    17  H    0.245360   0.112861   1.203736   1.080042  -0.784255  -0.337461
    18  H    0.003456  -0.019904  -0.122471  -0.614294   0.101011   0.109145
    19  H    0.004054   0.220908  -0.090926  -0.539261   1.356944   0.555628
    20  H    0.000089   0.012423  -0.066675  -0.150887  -0.048378   0.067569
    21  C    0.010504  -0.020398   0.017641  -0.012070   0.081958  -0.149010
    22  C    0.000469   0.005382   0.019280   0.016708   0.007452  -0.139800
    23  H    0.770331  -0.188682  -0.368436   0.148632   0.013133  -0.066598
    24  H   -0.344369   0.069129   0.141900  -0.072290  -0.028561   0.106596
    25  H   -0.354814   0.079148   0.139031  -0.076572  -0.025089   0.108676
    26  H    0.003313  -0.001824  -0.011502  -0.023202   0.042866  -0.000109
    27  H   -0.003968   0.025890  -0.003323  -0.147877   0.148671  -0.012071
    28  H    0.000729  -0.005536   0.006702   0.080786  -0.095519  -0.016117
    29  O   -0.000712   0.000660   0.000286  -0.010215   0.004285   0.007145
    30  O   -0.000796  -0.005653   0.007820   0.010519  -0.016625  -0.028272
    31  H   -0.000672   0.002857   0.000515  -0.009791   0.002562  -0.001047
               7          8          9         10         11         12
     1  C   -0.226140   0.104213   0.413432  -0.294803   0.130766  -0.633677
     2  C   -0.706509   0.500613   0.323792  -1.218230   0.120084   0.854726
     3  C   -5.329571  -0.562881   0.230959  -2.008523  -1.070272   0.296084
     4  C  -11.805809   4.500937  -0.776211   2.335789  -1.456675  -0.481654
     5  C    1.271658  -2.241889   1.962330 -10.075196   1.486255   0.177004
     6  C   -2.412828   0.397702  -5.008952  -0.440218   0.641089  -0.096987
     7  C   46.100670 -22.323465   7.894045  -7.441575   0.849621  -0.037489
     8  C  -22.323465  42.167115 -14.225265   3.085293  -3.364351  -0.041343
     9  C    7.894045 -14.225265  35.742065 -19.296209  -4.949457   0.004970
    10  C   -7.441575   3.085293 -19.296209  47.416887  -1.975173  -0.008741
    11  C    0.849621  -3.364351  -4.949457  -1.975173  20.040434  -0.001072
    12  O   -0.037489  -0.041343   0.004970  -0.008741  -0.001072   8.467290
    13  C    0.015650  -0.019280   0.032857  -0.020665   0.002938   0.213681
    14  H    0.022978   0.029773   0.002380  -0.201070  -0.002012  -0.121054
    15  H    0.567672   0.183435   0.028790  -0.034497  -0.008861  -0.096300
    16  H   -0.050519  -0.041577   0.125920   0.341269   0.029561   0.001792
    17  H   -3.858112   2.091559  -0.347490  -0.025476   0.027966  -0.005873
    18  H    2.078423  -4.025834   1.566291  -0.160270   0.167292  -0.000141
    19  H   -0.376044   0.712326   1.067376  -4.752148   0.178973  -0.000203
    20  H    0.181598  -0.128454   0.394545   0.050934  -1.824625  -0.000057
    21  C    0.160035  -0.449616   0.209789  -0.571684  -0.012441  -0.000055
    22  C   -0.152903  -0.391619   0.670802  -1.064445  -2.549635  -0.000119
    23  H   -0.011069  -0.006280   0.005348  -0.000402   0.000272  -0.472903
    24  H    0.008376   0.001433  -0.001458  -0.000261   0.000167   0.137334
    25  H    0.009231   0.002097  -0.002191  -0.000968   0.000008   0.137191
    26  H    0.017194  -0.028962  -0.496166   0.024799   0.470538  -0.000008
    27  H    0.134438  -0.108347  -0.240897  -0.342136   0.371047   0.000084
    28  H   -0.065128  -0.005280   0.836707   0.133729  -0.724318  -0.000018
    29  O    0.021097   0.000372   0.138589   0.012887  -0.138459   0.000001
    30  O    0.020078  -0.026395   0.196060  -0.020970  -0.641223   0.000005
    31  H    0.007733  -0.002827  -0.048245  -0.012350   0.227608   0.000009
              13         14         15         16         17         18
     1  C    0.079118   1.216920   0.439310  -0.369966   0.245360   0.003456
     2  C    0.044293  -2.876026  -0.345949   1.647102   0.112861  -0.019904
     3  C   -0.345838   0.223969  -3.964484   0.060338   1.203736  -0.122471
     4  C    0.141032   0.084643   2.531488  -0.454557   1.080042  -0.614294
     5  C   -0.040105  -0.225309  -0.146222   2.175878  -0.784255   0.101011
     6  C   -0.112366   0.746730   0.139923  -3.968238  -0.337461   0.109145
     7  C    0.015650   0.022978   0.567672  -0.050519  -3.858112   2.078423
     8  C   -0.019280   0.029773   0.183435  -0.041577   2.091559  -4.025834
     9  C    0.032857   0.002380   0.028790   0.125920  -0.347490   1.566291
    10  C   -0.020665  -0.201070  -0.034497   0.341269  -0.025476  -0.160270
    11  C    0.002938  -0.002012  -0.008861   0.029561   0.027966   0.167292
    12  O    0.213681  -0.121054  -0.096300   0.001792  -0.005873  -0.000141
    13  C    4.248710  -0.107272   0.033720   0.014597   0.000428  -0.000737
    14  H   -0.107272   3.451838  -0.030392  -0.221870   0.002973  -0.001531
    15  H    0.033720  -0.030392   2.586994   0.007578  -0.122593  -0.001625
    16  H    0.014597  -0.221870   0.007578   2.734081  -0.001161   0.005550
    17  H    0.000428   0.002973  -0.122593  -0.001161   2.618103  -0.177505
    18  H   -0.000737  -0.001531  -0.001625   0.005550  -0.177505   2.966618
    19  H   -0.001256   0.020489   0.005788  -0.249481   0.008892  -0.053822
    20  H    0.000208  -0.000213   0.000039  -0.000549   0.000029  -0.084476
    21  C    0.000173  -0.001438  -0.000755   0.001219   0.008224   0.046176
    22  C    0.000035  -0.001142   0.001442  -0.000057   0.005457   0.039213
    23  H    0.200091   0.022866  -0.015406  -0.000785   0.001963  -0.000203
    24  H    0.362368  -0.053764   0.009877   0.003323  -0.000917   0.000075
    25  H    0.363111  -0.053497   0.009998   0.003502  -0.000964   0.000083
    26  H    0.000050  -0.000321  -0.000257   0.003311   0.000931  -0.003468
    27  H    0.000082  -0.000465  -0.000255   0.005184   0.001701  -0.004170
    28  H   -0.000002   0.000039   0.000136  -0.001086  -0.000364   0.014175
    29  O   -0.000001   0.000013   0.000093   0.000508  -0.000418   0.000829
    30  O    0.000004  -0.000307   0.000066   0.001026  -0.000032   0.004541
    31  H    0.000000  -0.000006   0.000017   0.000106   0.000214  -0.001199
              19         20         21         22         23         24
     1  C    0.004054   0.000089   0.010504   0.000469   0.770331  -0.344369
     2  C    0.220908   0.012423  -0.020398   0.005382  -0.188682   0.069129
     3  C   -0.090926  -0.066675   0.017641   0.019280  -0.368436   0.141900
     4  C   -0.539261  -0.150887  -0.012070   0.016708   0.148632  -0.072290
     5  C    1.356944  -0.048378   0.081958   0.007452   0.013133  -0.028561
     6  C    0.555628   0.067569  -0.149010  -0.139800  -0.066598   0.106596
     7  C   -0.376044   0.181598   0.160035  -0.152903  -0.011069   0.008376
     8  C    0.712326  -0.128454  -0.449616  -0.391619  -0.006280   0.001433
     9  C    1.067376   0.394545   0.209789   0.670802   0.005348  -0.001458
    10  C   -4.752148   0.050934  -0.571684  -1.064445  -0.000402  -0.000261
    11  C    0.178973  -1.824625  -0.012441  -2.549635   0.000272   0.000167
    12  O   -0.000203  -0.000057  -0.000055  -0.000119  -0.472903   0.137334
    13  C   -0.001256   0.000208   0.000173   0.000035   0.200091   0.362368
    14  H    0.020489  -0.000213  -0.001438  -0.001142   0.022866  -0.053764
    15  H    0.005788   0.000039  -0.000755   0.001442  -0.015406   0.009877
    16  H   -0.249481  -0.000549   0.001219  -0.000057  -0.000785   0.003323
    17  H    0.008892   0.000029   0.008224   0.005457   0.001963  -0.000917
    18  H   -0.053822  -0.084476   0.046176   0.039213  -0.000203   0.000075
    19  H    3.968140  -0.017437   0.023380   0.097029  -0.000331  -0.000296
    20  H   -0.017437   2.624449   0.055018   0.259395   0.000021   0.000009
    21  C    0.023380   0.055018   4.938532   0.217944   0.000022   0.000029
    22  C    0.097029   0.259395   0.217944   8.307462   0.000004   0.000034
    23  H   -0.000331   0.000021   0.000022   0.000004   2.272396  -0.462940
    24  H   -0.000296   0.000009   0.000029   0.000034  -0.462940   1.340252
    25  H   -0.000210   0.000001   0.000016   0.000044  -0.461719  -0.102494
    26  H   -0.025999  -0.016856   0.100246   0.047491   0.000001   0.000010
    27  H   -0.106086   0.077139   0.482331  -0.014997   0.000011  -0.000006
    28  H    0.038579  -0.005996  -0.112398  -0.007729   0.000000   0.000001
    29  O   -0.005496   0.055523  -0.024582   0.514438  -0.000000  -0.000000
    30  O   -0.041002   0.072473   0.093220   0.417949  -0.000001   0.000010
    31  H    0.004069   0.010011  -0.024476  -0.228041  -0.000001   0.000002
              25         26         27         28         29         30
     1  C   -0.354814   0.003313  -0.003968   0.000729  -0.000712  -0.000796
     2  C    0.079148  -0.001824   0.025890  -0.005536   0.000660  -0.005653
     3  C    0.139031  -0.011502  -0.003323   0.006702   0.000286   0.007820
     4  C   -0.076572  -0.023202  -0.147877   0.080786  -0.010215   0.010519
     5  C   -0.025089   0.042866   0.148671  -0.095519   0.004285  -0.016625
     6  C    0.108676  -0.000109  -0.012071  -0.016117   0.007145  -0.028272
     7  C    0.009231   0.017194   0.134438  -0.065128   0.021097   0.020078
     8  C    0.002097  -0.028962  -0.108347  -0.005280   0.000372  -0.026395
     9  C   -0.002191  -0.496166  -0.240897   0.836707   0.138589   0.196060
    10  C   -0.000968   0.024799  -0.342136   0.133729   0.012887  -0.020970
    11  C    0.000008   0.470538   0.371047  -0.724318  -0.138459  -0.641223
    12  O    0.137191  -0.000008   0.000084  -0.000018   0.000001   0.000005
    13  C    0.363111   0.000050   0.000082  -0.000002  -0.000001   0.000004
    14  H   -0.053497  -0.000321  -0.000465   0.000039   0.000013  -0.000307
    15  H    0.009998  -0.000257  -0.000255   0.000136   0.000093   0.000066
    16  H    0.003502   0.003311   0.005184  -0.001086   0.000508   0.001026
    17  H   -0.000964   0.000931   0.001701  -0.000364  -0.000418  -0.000032
    18  H    0.000083  -0.003468  -0.004170   0.014175   0.000829   0.004541
    19  H   -0.000210  -0.025999  -0.106086   0.038579  -0.005496  -0.041002
    20  H    0.000001  -0.016856   0.077139  -0.005996   0.055523   0.072473
    21  C    0.000016   0.100246   0.482331  -0.112398  -0.024582   0.093220
    22  C    0.000044   0.047491  -0.014997  -0.007729   0.514438   0.417949
    23  H   -0.461719   0.000001   0.000011   0.000000  -0.000000  -0.000001
    24  H   -0.102494   0.000010  -0.000006   0.000001  -0.000000   0.000010
    25  H    1.339852   0.000012  -0.000011   0.000002   0.000000   0.000003
    26  H    0.000012   1.686888  -0.293638  -0.379022  -0.002505   0.016247
    27  H   -0.000011  -0.293638   1.651060  -0.439535  -0.002259   0.013296
    28  H    0.000002  -0.379022  -0.439535   1.939148   0.007309   0.000522
    29  O    0.000000  -0.002505  -0.002259   0.007309   7.730754  -0.043190
    30  O    0.000003   0.016247   0.013296   0.000522  -0.043190   7.980646
    31  H    0.000002   0.003218  -0.006910   0.001210  -0.016721   0.316288
              31
     1  C   -0.000672
     2  C    0.002857
     3  C    0.000515
     4  C   -0.009791
     5  C    0.002562
     6  C   -0.001047
     7  C    0.007733
     8  C   -0.002827
     9  C   -0.048245
    10  C   -0.012350
    11  C    0.227608
    12  O    0.000009
    13  C    0.000000
    14  H   -0.000006
    15  H    0.000017
    16  H    0.000106
    17  H    0.000214
    18  H   -0.001199
    19  H    0.004069
    20  H    0.010011
    21  C   -0.024476
    22  C   -0.228041
    23  H   -0.000001
    24  H    0.000002
    25  H    0.000002
    26  H    0.003218
    27  H   -0.006910
    28  H    0.001210
    29  O   -0.016721
    30  O    0.316288
    31  H    0.565635
 Mulliken charges:
               1
     1  C   -0.630319
     2  C    0.870126
     3  C    0.156891
     4  C    1.019793
     5  C    0.826673
     6  C   -0.338450
     7  C    1.436666
     8  C    0.216795
     9  C   -0.454506
    10  C    2.564424
    11  C   -0.026046
    12  O   -0.292478
    13  C    0.894373
    14  H   -0.927921
    15  H   -0.778767
    16  H   -0.801998
    17  H   -0.747820
    18  H   -0.831228
    19  H   -1.002579
    20  H   -0.516870
    21  C    0.932467
    22  C   -0.077543
    23  H   -0.379335
    24  H   -0.113568
    25  H   -0.113481
    26  H   -0.133281
    27  H   -0.183981
    28  H   -0.201725
    29  O   -0.250233
    30  O   -0.326304
    31  H    0.210227
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.630319
     2  C   -0.057795
     3  C   -0.621877
     4  C    1.019793
     5  C    0.826673
     6  C   -1.140449
     7  C    0.688845
     8  C   -0.614433
     9  C   -0.454506
    10  C    1.561845
    11  C   -0.542916
    12  O   -0.292478
    13  C    0.287988
    21  C    0.413481
    22  C   -0.077543
    29  O   -0.250233
    30  O   -0.116077
 Electronic spatial extent (au):  <R**2>=           5462.2244
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.9154    Y=             -2.4037    Z=              1.3090  Tot=              3.3407
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -91.0326   YY=            -90.8018   ZZ=           -104.0494
   XY=             -1.4707   XZ=             -7.1650   YZ=              3.9791
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              4.2620   YY=              4.4928   ZZ=             -8.7548
   XY=             -1.4707   XZ=             -7.1650   YZ=              3.9791
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            104.0307  YYY=             -2.5403  ZZZ=             -9.5079  XYY=             -2.9667
  XXY=            -66.1338  XXZ=             23.2032  XZZ=             -5.3189  YZZ=            -15.2653
  YYZ=             -9.5112  XYZ=            -20.7022
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5409.0254 YYYY=           -777.1889 ZZZZ=           -449.1407 XXXY=            -35.6240
 XXXZ=           -137.9564 YYYX=             30.0445 YYYZ=             11.0508 ZZZX=             16.4374
 ZZZY=             28.6551 XXYY=          -1056.8527 XXZZ=          -1088.5696 YYZZ=           -212.4129
 XXYZ=             96.7082 YYXZ=             32.3415 ZZXY=             50.4746
 N-N= 1.132708260200D+03 E-N=-4.052838056417D+03  KE= 7.624703174558D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Sep 23 19:44:48 2021, MaxMem=  5368709120 cpu:               6.4 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 7.85317116D-01-9.09046616D-01 4.60014775D-01
 Polarizability= 2.70359522D+02-1.56599650D+01 1.67802612D+02
                -7.41308291D+00-4.46928583D+00 1.13059248D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        4.0313    4.0237       -9.6369   -9.6434
 2     -4.0313   -4.0237        2.5353    2.5363      -54.8490  -54.8303
 3      9.6369    9.6434       84.1995   84.1854       -2.5217   -2.5363
 4     -2.5353   -2.5363       -0.0000    0.0000        9.6394    9.6434
 5    -29.3505  -29.3551       -9.6394   -9.6434        4.0038    4.0237
 6      2.5217    2.5363       -4.0038   -4.0237        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000      -12.0711  -12.0711      -28.9302  -28.9302
 2     -7.6088   -7.6088        0.0000    0.0000      -28.9302  -28.9302
 3     -7.6088   -7.6088      -12.0711  -12.0711       -0.0000    0.0000
 4    -12.0711  -12.0711        7.6088    7.6088     -164.4909 -164.4909
 5     28.9302   28.9302      252.5561  252.5561       -7.6088   -7.6088
 6    -88.0652  -88.0652      -28.9303  -28.9302       12.0711   12.0711
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1430    0.0000      -15.7580  -16.0948       38.3987   38.5737
 2     16.2078   16.0948      -10.9453  -10.1451      217.6745  219.3212
 3    -38.0718  -38.5737     -336.6532 -336.7415        9.9395   10.1451
 4      9.8892   10.1451        0.0814    0.0000      -38.4124  -38.5737
 5    117.5152  117.4203       38.9993   38.5737      -15.9988  -16.0948
 6    -10.4014  -10.1451       17.3254   16.0948       -0.5248    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.6372    0.0000      105.2879  104.8902       58.1261   58.8740
 2   -104.0467 -104.8902      -68.4015  -67.8457       24.6376   26.6997
 3    -59.8066  -58.8740      -34.5007  -34.7258       67.1236   67.8457
 4     67.2534   67.8457       -0.0270    0.0000      -58.1021  -58.8740
 5      7.1519    8.0261       58.9597   58.8740      103.0761  104.8902
 6    -66.3879  -67.8457     -105.9825 -104.8902        0.1710    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     58.3695   58.3806       38.5148   38.4731      -27.4032  -28.0994
 2    169.0351  170.1922      127.5877  127.2438      -26.5021  -28.0994
 3    169.0115  170.1922       38.3819   38.4731      -94.6545  -96.4055
 4    -87.8115  -88.7707     -111.2532 -111.8116       11.9085   12.9774
 5    -68.1767  -68.3061      -21.9783  -22.6147      113.0454  111.8116
 6      9.3455    9.6373       67.7259   68.3061       84.8155   88.7707
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.6532   -2.7523    0.0003    0.0005    0.0006    1.6950
 Low frequencies ---   13.8199   39.0318   49.3098
 Diagonal vibrational polarizability:
       46.2960990      24.0401293      36.5759428
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     13.7814                39.0304                49.3078
 Red. masses --      4.4733                 6.8440                 6.3200
 Frc consts  --      0.0005                 0.0061                 0.0091
 IR Inten    --      0.1492                 0.7172                 1.3348
 RamAct Fr= 1--      5.7349                 2.3055                 0.9069
  Dep-P Fr= 1--      0.7499                 0.7429                 0.7466
  Dep-U Fr= 1--      0.8571                 0.8525                 0.8549
 Alpha2 Fr= 1--      0.0000                 0.0003                 0.0001
 Beta2  Fr= 1--      0.8192                 0.3276                 0.1292
 AlphaG Fr= 1--     -0.0004                 0.0021                 0.0024
 Gamma2 Fr= 1--     -1.1224                -2.1332                 2.0695
 Delta2 Fr= 1--     -0.7440                -0.8250                 0.3992
 Raman1 Fr= 1--      22.940                  9.222                  3.628
 ROA1   Fr= 1--    -131.553               -231.183                211.449
 CID1   Fr= 1--      -5.735                -25.069                 58.286
 Raman2 Fr= 1--       9.831                  3.931                  1.551
 ROA2   Fr= 1--     -20.985                -44.596                 46.476
 CID2   Fr= 1--      -2.135                -11.345                 29.970
 Raman3 Fr= 1--      19.662                  7.862                  3.102
 ROA3   Fr= 1--    -131.553               -231.183                211.449
 CID3   Fr= 1--      -6.691                -29.406                 68.176
 RC180  Fr= 1--       0.714                  0.705                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.02    -0.03   0.01  -0.01    -0.01  -0.02   0.04
     2   6     0.03   0.01   0.14    -0.02   0.01   0.07    -0.02  -0.01   0.07
     3   6    -0.02  -0.02  -0.11    -0.03   0.01   0.01     0.01  -0.00   0.06
     4   6    -0.01  -0.03  -0.07    -0.03   0.01   0.08     0.01   0.02   0.09
     5   6     0.02  -0.02   0.09    -0.02   0.01   0.14    -0.00   0.03   0.10
     6   6     0.04   0.00   0.18    -0.01   0.02   0.15    -0.02   0.01   0.11
     7   6    -0.03  -0.05  -0.16    -0.03   0.01   0.07     0.02   0.02   0.07
     8   6    -0.03  -0.06  -0.11    -0.03   0.00   0.07     0.01   0.03   0.03
     9   6     0.00  -0.05   0.04    -0.02   0.01   0.10    -0.00   0.04   0.01
    10   6     0.02  -0.03   0.13    -0.02   0.01   0.15    -0.01   0.04   0.07
    11   6     0.01  -0.06   0.06    -0.03  -0.01   0.01    -0.01   0.04  -0.07
    12   8    -0.01   0.01  -0.07    -0.05  -0.00  -0.12    -0.01  -0.04  -0.03
    13   6     0.02   0.03   0.03    -0.06  -0.01  -0.28    -0.04  -0.07  -0.24
    14   1     0.05   0.03   0.21    -0.02   0.01   0.06    -0.03  -0.01   0.07
    15   1    -0.04  -0.02  -0.23    -0.04   0.00  -0.05     0.02  -0.01   0.03
    16   1     0.06   0.01   0.30    -0.01   0.02   0.20    -0.03   0.02   0.13
    17   1    -0.06  -0.05  -0.28    -0.04   0.00   0.03     0.03   0.02   0.07
    18   1    -0.04  -0.07  -0.18    -0.04  -0.00   0.04     0.02   0.04  -0.00
    19   1     0.05  -0.02   0.24    -0.01   0.01   0.18    -0.01   0.04   0.07
    20   1     0.01  -0.06   0.18    -0.05  -0.02  -0.03    -0.03   0.04  -0.13
    21   6     0.01  -0.19  -0.02    -0.12  -0.02  -0.03    -0.09   0.09  -0.06
    22   6    -0.01   0.09   0.00     0.12  -0.01  -0.07     0.02  -0.03  -0.05
    23   1     0.00   0.04  -0.04    -0.07  -0.02  -0.41    -0.05  -0.10  -0.35
    24   1     0.01  -0.06   0.11    -0.19   0.01  -0.27    -0.19  -0.00  -0.27
    25   1     0.04   0.14   0.08     0.07  -0.04  -0.29     0.08  -0.15  -0.28
    26   1     0.04  -0.30   0.03    -0.20  -0.01   0.00    -0.13   0.11  -0.05
    27   1    -0.03  -0.20  -0.15    -0.09  -0.01   0.01    -0.08   0.08  -0.00
    28   1     0.01  -0.16  -0.01    -0.12  -0.05  -0.12    -0.09   0.09  -0.12
    29   8    -0.05   0.18   0.09     0.40   0.03  -0.22    -0.26  -0.13   0.05
    30   8     0.01   0.10  -0.16    -0.06  -0.04   0.04     0.37   0.02  -0.14
    31   1     0.00   0.19  -0.18     0.09  -0.03  -0.02     0.33  -0.03  -0.11
                      4                      5                      6
                      A                      A                      A
 Frequencies --     74.5962               115.8049               139.2808
 Red. masses --      3.9686                 5.1213                 3.8393
 Frc consts  --      0.0130                 0.0405                 0.0439
 IR Inten    --      2.0603                 0.7265                 0.6041
 RamAct Fr= 1--      1.2409                 0.8333                 1.6627
  Dep-P Fr= 1--      0.7463                 0.5007                 0.6400
  Dep-U Fr= 1--      0.8547                 0.6673                 0.7805
 Alpha2 Fr= 1--      0.0001                 0.0041                 0.0033
 Beta2  Fr= 1--      0.1768                 0.0927                 0.2163
 AlphaG Fr= 1--      0.0024                -0.0281                 0.0132
 Gamma2 Fr= 1--     -0.6188                -1.2371                 2.6043
 Delta2 Fr= 1--      0.0586                -0.6766                 1.6729
 Raman1 Fr= 1--       4.963                  3.333                  6.651
 ROA1   Fr= 1--     -57.533               -140.418                303.546
 CID1   Fr= 1--     -11.591                -42.128                 45.639
 Raman2 Fr= 1--       2.121                  1.112                  2.596
 ROA2   Fr= 1--     -15.320                -24.278                 49.120
 CID2   Fr= 1--      -7.223                -21.831                 18.925
 Raman3 Fr= 1--       4.242                  2.224                  5.191
 ROA3   Fr= 1--     -57.533               -140.418                303.546
 CID3   Fr= 1--     -13.562                -63.132                 58.475
 RC180  Fr= 1--       0.709                  0.335                  0.561
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.13    -0.05  -0.00   0.04    -0.01   0.01   0.01
     2   6    -0.04  -0.02  -0.11    -0.08  -0.00  -0.04    -0.04   0.04   0.08
     3   6    -0.03  -0.01  -0.09    -0.04   0.01  -0.06     0.03   0.06   0.04
     4   6    -0.02   0.01  -0.01    -0.05   0.03  -0.12     0.02   0.10   0.05
     5   6    -0.03   0.01   0.01    -0.06   0.04  -0.09     0.00   0.10   0.01
     6   6    -0.04  -0.00  -0.04    -0.09   0.02  -0.11    -0.04   0.08   0.07
     7   6    -0.01   0.02   0.06    -0.05   0.03  -0.16     0.01   0.10   0.07
     8   6    -0.01   0.03   0.11    -0.05   0.05  -0.07    -0.00   0.09   0.01
     9   6    -0.01   0.03   0.09    -0.03   0.06   0.04    -0.00   0.08  -0.07
    10   6    -0.02   0.02   0.06    -0.04   0.06  -0.01     0.01   0.09  -0.07
    11   6    -0.02   0.01   0.03    -0.01  -0.02   0.11     0.02  -0.04  -0.03
    12   8    -0.04  -0.04  -0.20    -0.02  -0.03   0.25    -0.00  -0.09  -0.12
    13   6    -0.01  -0.00   0.25    -0.10  -0.10  -0.03    -0.08  -0.16   0.03
    14   1    -0.05  -0.02  -0.15    -0.10  -0.01  -0.02    -0.06   0.02   0.11
    15   1    -0.02  -0.01  -0.10    -0.01   0.00  -0.03     0.07   0.04   0.02
    16   1    -0.05   0.00  -0.04    -0.12   0.03  -0.13    -0.08   0.10   0.10
    17   1    -0.01   0.02   0.06    -0.06   0.03  -0.22     0.01   0.11   0.12
    18   1    -0.00   0.03   0.14    -0.05   0.05  -0.08    -0.00   0.09   0.03
    19   1    -0.02   0.02   0.05    -0.03   0.06   0.03     0.02   0.09  -0.11
    20   1    -0.04   0.00   0.01    -0.07  -0.05   0.16    -0.07  -0.09   0.06
    21   6    -0.07   0.00   0.01     0.09  -0.12   0.07     0.21  -0.17  -0.05
    22   6     0.08  -0.00  -0.00     0.10  -0.00   0.06    -0.02  -0.05  -0.02
    23   1     0.00  -0.00   0.33    -0.07  -0.13   0.08    -0.05  -0.26  -0.09
    24   1     0.19  -0.22   0.40    -0.17   0.13  -0.22    -0.17  -0.29   0.16
    25   1    -0.19   0.24   0.39    -0.12  -0.35  -0.18    -0.09   0.01   0.13
    26   1    -0.13   0.01   0.03     0.09  -0.15   0.09     0.25  -0.20  -0.05
    27   1    -0.04   0.01   0.03     0.16  -0.09   0.00     0.31  -0.12  -0.16
    28   1    -0.07  -0.02  -0.05     0.10  -0.20   0.11     0.23  -0.30   0.05
    29   8     0.07  -0.03  -0.01     0.16   0.00   0.03    -0.03  -0.05  -0.01
    30   8     0.19   0.01  -0.02     0.21   0.01   0.02    -0.07  -0.06  -0.00
    31   1     0.25   0.00  -0.05     0.32   0.03  -0.04    -0.10  -0.05   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    182.3410               195.6067               231.0924
 Red. masses --      3.1684                 3.3765                 1.7281
 Frc consts  --      0.0621                 0.0761                 0.0544
 IR Inten    --      0.8368                 0.5546                 0.9944
 RamAct Fr= 1--      0.0852                 2.1278                 0.3204
  Dep-P Fr= 1--      0.7492                 0.6473                 0.2750
  Dep-U Fr= 1--      0.8566                 0.7859                 0.4314
 Alpha2 Fr= 1--      0.0000                 0.0039                 0.0035
 Beta2  Fr= 1--      0.0122                 0.2787                 0.0230
 AlphaG Fr= 1--      0.0003                -0.0149                 0.0001
 Gamma2 Fr= 1--     -0.0707                -2.5037                 0.2000
 Delta2 Fr= 1--     -0.0076                -1.4445                 0.0533
 Raman1 Fr= 1--       0.341                  8.511                  1.282
 ROA1   Fr= 1--      -7.026               -286.575                 20.907
 CID1   Fr= 1--     -20.604                -33.671                 16.311
 Raman2 Fr= 1--       0.146                  3.344                  0.276
 ROA2   Fr= 1--      -1.636                -48.532                  4.373
 CID2   Fr= 1--     -11.199                -14.512                 15.818
 Raman3 Fr= 1--       0.292                  6.689                  0.553
 ROA3   Fr= 1--      -7.026               -286.575                 20.907
 CID3   Fr= 1--     -24.052                -42.845                 37.810
 RC180  Fr= 1--       0.713                  0.572                 -0.137
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.02    -0.05  -0.03   0.05     0.02   0.07   0.01
     2   6     0.01   0.00   0.21    -0.04  -0.05  -0.00     0.03   0.06  -0.00
     3   6    -0.04  -0.04  -0.14    -0.04  -0.04   0.19     0.01   0.06   0.01
     4   6    -0.03  -0.04  -0.11    -0.04  -0.05   0.11     0.00   0.03  -0.00
     5   6    -0.03  -0.04  -0.14    -0.04  -0.06   0.02     0.02   0.02  -0.02
     6   6    -0.01  -0.02   0.05    -0.04  -0.06  -0.00     0.04   0.04  -0.03
     7   6     0.00  -0.01   0.06    -0.01  -0.03  -0.01    -0.03  -0.00  -0.00
     8   6     0.01   0.01   0.17    -0.02  -0.02  -0.14    -0.03  -0.05  -0.00
     9   6    -0.01  -0.01  -0.02    -0.02  -0.01  -0.10    -0.00  -0.06   0.00
    10   6    -0.04  -0.04  -0.20    -0.05  -0.03  -0.05     0.03  -0.04  -0.02
    11   6    -0.00   0.01   0.01     0.01   0.02   0.01    -0.00  -0.03   0.02
    12   8    -0.03   0.02   0.01    -0.09   0.02  -0.10     0.04  -0.00  -0.01
    13   6     0.01   0.05  -0.02     0.00   0.11  -0.01    -0.07  -0.11   0.02
    14   1     0.04   0.03   0.44    -0.03  -0.05  -0.07     0.03   0.07   0.01
    15   1    -0.05  -0.04  -0.20    -0.04  -0.03   0.24    -0.01   0.07   0.02
    16   1     0.01  -0.01   0.14    -0.04  -0.07  -0.05     0.06   0.03  -0.04
    17   1     0.02  -0.01   0.17     0.02  -0.05  -0.02    -0.08   0.01   0.00
    18   1     0.04   0.03   0.38    -0.03  -0.03  -0.24    -0.05  -0.07   0.00
    19   1    -0.06  -0.04  -0.30    -0.08  -0.02  -0.05     0.06  -0.05  -0.02
    20   1     0.01   0.02   0.00     0.01   0.02   0.02     0.04  -0.01  -0.02
    21   6     0.03   0.04   0.03     0.18   0.07   0.09    -0.06   0.05   0.05
    22   6     0.01   0.01   0.01     0.02   0.02   0.01     0.00  -0.02   0.01
    23   1    -0.04   0.06  -0.31    -0.05   0.17  -0.17    -0.04  -0.23  -0.12
    24   1    -0.15  -0.09   0.14     0.01  -0.04   0.12    -0.23  -0.17   0.11
    25   1     0.23   0.20   0.07     0.13   0.27   0.08    -0.05  -0.00   0.08
    26   1     0.06   0.06   0.01     0.48   0.02  -0.01     0.33  -0.14  -0.00
    27   1     0.03   0.04   0.04     0.03   0.01  -0.01    -0.48  -0.12  -0.08
    28   1     0.03   0.04   0.07     0.19   0.22   0.36    -0.08   0.50   0.27
    29   8     0.03   0.02  -0.00     0.07   0.04  -0.01     0.03   0.01   0.02
    30   8     0.05   0.02  -0.01     0.08   0.03  -0.02     0.00  -0.02  -0.04
    31   1     0.08   0.02  -0.02     0.16   0.04  -0.06     0.02   0.02  -0.06
                     10                     11                     12
                      A                      A                      A
 Frequencies --    232.5516               248.2345               271.7265
 Red. masses --      1.3354                 1.7323                 2.5185
 Frc consts  --      0.0425                 0.0629                 0.1096
 IR Inten    --      0.2266                 0.2440                 0.8921
 RamAct Fr= 1--      1.1111                 0.9210                 1.1341
  Dep-P Fr= 1--      0.6706                 0.2495                 0.7039
  Dep-U Fr= 1--      0.8028                 0.3994                 0.8262
 Alpha2 Fr= 1--      0.0016                 0.0109                 0.0009
 Beta2  Fr= 1--      0.1487                 0.0613                 0.1562
 AlphaG Fr= 1--      0.0014                -0.0062                 0.0127
 Gamma2 Fr= 1--      0.9197                 0.2415                 0.5880
 Delta2 Fr= 1--      0.1396                 0.3180                 0.0172
 Raman1 Fr= 1--       4.445                  3.684                  4.536
 ROA1   Fr= 1--      92.756                 33.360                 56.999
 CID1   Fr= 1--      20.870                  9.056                 12.565
 Raman2 Fr= 1--       1.784                  0.736                  1.874
 ROA2   Fr= 1--      20.955                  3.252                 13.974
 CID2   Fr= 1--      11.746                  4.420                  7.457
 Raman3 Fr= 1--       3.568                  1.471                  3.748
 ROA3   Fr= 1--      92.756                 33.360                 56.999
 CID3   Fr= 1--      25.996                 22.673                 15.208
 RC180  Fr= 1--       0.606                 -0.201                  0.652
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.04    -0.01   0.04  -0.01     0.02   0.02   0.05
     2   6    -0.01  -0.02   0.00     0.01   0.03   0.02     0.03   0.03   0.09
     3   6    -0.02  -0.02  -0.08    -0.01   0.03  -0.00     0.02   0.02   0.11
     4   6    -0.01  -0.01  -0.01    -0.01   0.00   0.01     0.01  -0.00   0.02
     5   6    -0.01  -0.00   0.04     0.01  -0.01   0.01    -0.00  -0.01  -0.07
     6   6    -0.01  -0.01   0.05     0.02   0.01   0.03     0.02   0.01   0.02
     7   6     0.01   0.01   0.04    -0.03  -0.01   0.02    -0.01  -0.01  -0.03
     8   6     0.01   0.02   0.05    -0.02  -0.04   0.00    -0.01  -0.02  -0.05
     9   6     0.00   0.02  -0.01     0.00  -0.05  -0.02    -0.01  -0.02  -0.04
    10   6    -0.01   0.01   0.03     0.01  -0.04  -0.03    -0.01  -0.03  -0.14
    11   6     0.00   0.01  -0.02     0.01  -0.04  -0.01    -0.02   0.03   0.04
    12   8    -0.02   0.00   0.02    -0.00   0.01  -0.03     0.01  -0.01  -0.12
    13   6     0.01   0.03  -0.00    -0.07  -0.05   0.01    -0.01  -0.02  -0.01
    14   1    -0.01  -0.02  -0.00     0.02   0.04   0.01     0.03   0.03   0.11
    15   1    -0.01  -0.03  -0.11    -0.03   0.04  -0.01     0.01   0.03   0.13
    16   1    -0.01   0.00   0.09     0.04   0.01   0.05     0.03   0.00   0.03
    17   1     0.03   0.00   0.06    -0.05  -0.00   0.03    -0.02  -0.01  -0.03
    18   1     0.02   0.03   0.08    -0.04  -0.06   0.01    -0.01  -0.02  -0.05
    19   1    -0.02   0.02   0.03     0.03  -0.05  -0.05    -0.01  -0.04  -0.20
    20   1    -0.00   0.00  -0.02     0.02  -0.03  -0.06     0.02   0.04   0.09
    21   6     0.07   0.01  -0.00     0.06   0.10   0.09    -0.11  -0.07  -0.05
    22   6    -0.01  -0.01  -0.02     0.00  -0.03  -0.01     0.00   0.05   0.05
    23   1     0.04   0.10   0.41    -0.00  -0.09   0.33     0.05  -0.00   0.47
    24   1     0.26   0.25  -0.26     0.08   0.11  -0.16     0.28   0.17  -0.25
    25   1    -0.24  -0.24  -0.16    -0.32  -0.22  -0.09    -0.37  -0.25  -0.14
    26   1     0.41  -0.16  -0.06    -0.21   0.41   0.03    -0.15  -0.19   0.03
    27   1    -0.20  -0.10  -0.18     0.36   0.22   0.37    -0.15  -0.09  -0.14
    28   1     0.06   0.29   0.24     0.07  -0.20  -0.03    -0.12  -0.03  -0.14
    29   8    -0.01  -0.02  -0.03     0.03   0.04   0.03     0.01   0.00   0.01
    30   8    -0.01  -0.01  -0.02    -0.01  -0.02  -0.10     0.06   0.05   0.13
    31   1    -0.01  -0.01  -0.02    -0.02   0.05  -0.12     0.12  -0.02   0.13
                     13                     14                     15
                      A                      A                      A
 Frequencies --    304.4287               350.6857               394.0340
 Red. masses --      4.1539                 4.9942                 5.2777
 Frc consts  --      0.2268                 0.3619                 0.4828
 IR Inten    --      0.3516                 1.1133                 0.5238
 RamAct Fr= 1--      6.6950                 9.0678                 0.4429
  Dep-P Fr= 1--      0.1041                 0.2146                 0.4567
  Dep-U Fr= 1--      0.1886                 0.3533                 0.6271
 Alpha2 Fr= 1--      0.1160                 0.1184                 0.0026
 Beta2  Fr= 1--      0.2104                 0.5340                 0.0463
 AlphaG Fr= 1--      0.0734                -0.0067                 0.0216
 Gamma2 Fr= 1--     -0.4312                 0.2245                -0.4247
 Delta2 Fr= 1--     -0.4826                 0.4611                -0.9439
 Raman1 Fr= 1--      26.780                 36.271                  1.772
 ROA1   Fr= 1--     -56.840                 36.305                -70.979
 CID1   Fr= 1--      -2.122                  1.001                -40.065
 Raman2 Fr= 1--       2.525                  6.408                  0.555
 ROA2   Fr= 1--      -6.488                  1.699                 -2.642
 CID2   Fr= 1--      -2.570                  0.265                 -4.756
 Raman3 Fr= 1--       5.050                 12.816                  1.111
 ROA3   Fr= 1--     -56.840                 36.305                -70.979
 CID3   Fr= 1--     -11.256                  2.833                -63.893
 RC180  Fr= 1--      -0.623                 -0.293                  0.254
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.09   0.05     0.10   0.03  -0.06     0.07   0.07   0.15
     2   6    -0.04  -0.05   0.06     0.03   0.06  -0.05     0.05   0.06   0.08
     3   6     0.08  -0.03   0.07     0.03   0.01  -0.07     0.01   0.01   0.16
     4   6     0.03   0.08  -0.02    -0.01   0.01   0.03    -0.02  -0.10  -0.11
     5   6    -0.02   0.10  -0.06    -0.04   0.02   0.05    -0.04  -0.08  -0.08
     6   6    -0.07   0.05  -0.01     0.03   0.06   0.03     0.03  -0.04  -0.12
     7   6    -0.02   0.07  -0.05    -0.10  -0.05   0.08     0.02  -0.08  -0.20
     8   6    -0.03   0.06  -0.01    -0.12  -0.08  -0.01     0.04   0.06   0.17
     9   6    -0.05   0.06   0.03    -0.15  -0.07  -0.05    -0.02   0.09   0.23
    10   6    -0.02   0.09  -0.06    -0.08  -0.03   0.01    -0.06   0.04   0.13
    11   6    -0.06  -0.09   0.06    -0.19   0.03   0.03    -0.06   0.05   0.02
    12   8     0.04  -0.11  -0.05     0.17  -0.07   0.03     0.05   0.04  -0.11
    13   6     0.23   0.05  -0.03     0.21  -0.08  -0.01    -0.02  -0.03  -0.01
    14   1    -0.08  -0.10   0.09     0.00   0.04  -0.06     0.06   0.06   0.07
    15   1     0.16  -0.06   0.08    -0.02   0.04  -0.08    -0.08   0.05   0.20
    16   1    -0.15   0.08  -0.02     0.08   0.05   0.04     0.11  -0.08  -0.21
    17   1    -0.05   0.08  -0.08    -0.17  -0.01   0.13     0.08  -0.13  -0.38
    18   1    -0.02   0.08  -0.02    -0.10  -0.07  -0.02     0.11   0.12   0.24
    19   1     0.00   0.08  -0.08    -0.01  -0.05   0.02    -0.13   0.06   0.11
    20   1    -0.13  -0.11  -0.01    -0.14   0.04   0.13    -0.13   0.02   0.02
    21   6    -0.12   0.01   0.12     0.07  -0.02   0.10     0.08   0.00   0.05
    22   6    -0.00  -0.10   0.03    -0.14   0.08  -0.02    -0.04   0.01  -0.07
    23   1     0.15   0.25   0.08     0.18  -0.03  -0.08     0.04  -0.12   0.11
    24   1     0.43   0.07  -0.10     0.19  -0.09   0.01     0.00  -0.01  -0.04
    25   1     0.25  -0.02  -0.07     0.29  -0.06   0.00    -0.18  -0.04  -0.02
    26   1    -0.07   0.03   0.09     0.13   0.08   0.02     0.20   0.01  -0.01
    27   1    -0.23  -0.04   0.20     0.26   0.06   0.06     0.15   0.04  -0.03
    28   1    -0.13   0.15   0.12     0.10  -0.22   0.29     0.10  -0.08   0.22
    29   8     0.05   0.01   0.08    -0.03  -0.01  -0.17    -0.06  -0.08  -0.13
    30   8    -0.05  -0.10  -0.16     0.06   0.11   0.07    -0.04   0.01  -0.07
    31   1    -0.04   0.06  -0.22     0.35   0.00  -0.02    -0.07   0.04  -0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --    417.0250               422.8950               468.1367
 Red. masses --      3.3019                 4.3421                 4.8720
 Frc consts  --      0.3383                 0.4575                 0.6291
 IR Inten    --      0.0888                 0.8879                 3.3294
 RamAct Fr= 1--      2.2288                 0.6077                 1.4641
  Dep-P Fr= 1--      0.7413                 0.3043                 0.2044
  Dep-U Fr= 1--      0.8514                 0.4666                 0.3395
 Alpha2 Fr= 1--      0.0003                 0.0062                 0.0197
 Beta2  Fr= 1--      0.3163                 0.0473                 0.0828
 AlphaG Fr= 1--     -0.0022                -0.0026                 0.0095
 Gamma2 Fr= 1--     -0.3747                -0.4081                 0.3499
 Delta2 Fr= 1--      0.1125                 0.2644                 0.1029
 Raman1 Fr= 1--       8.915                  2.431                  5.856
 ROA1   Fr= 1--     -32.368                -30.714                 36.883
 CID1   Fr= 1--      -3.631                -12.636                  6.298
 Raman2 Fr= 1--       3.795                  0.567                  0.994
 ROA2   Fr= 1--      -9.892                -11.909                  7.574
 CID2   Fr= 1--      -2.606                -20.999                  7.619
 Raman3 Fr= 1--       7.590                  1.134                  1.988
 ROA3   Fr= 1--     -32.368                -30.714                 36.883
 CID3   Fr= 1--      -4.264                -27.079                 18.552
 RC180  Fr= 1--       0.703                 -0.067                 -0.321
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.10     0.08   0.06  -0.07     0.02   0.11   0.01
     2   6    -0.01  -0.01  -0.20     0.06   0.06  -0.02    -0.05   0.14  -0.00
     3   6     0.01   0.01   0.10    -0.02  -0.04  -0.07    -0.10   0.05   0.02
     4   6    -0.00  -0.02  -0.03     0.01  -0.15   0.08    -0.13  -0.07   0.00
     5   6     0.00  -0.00   0.09    -0.06  -0.12   0.04    -0.12  -0.07   0.03
     6   6     0.03   0.02   0.24     0.06  -0.06   0.02    -0.03   0.01  -0.01
     7   6    -0.01  -0.02  -0.17     0.12  -0.07   0.10    -0.10  -0.04  -0.02
     8   6     0.02   0.03   0.13     0.05   0.14  -0.13    -0.08   0.02   0.04
     9   6    -0.00   0.02   0.01    -0.07   0.17  -0.09    -0.01   0.02   0.01
    10   6    -0.03  -0.01  -0.17    -0.13   0.09  -0.05    -0.11  -0.06   0.04
    11   6    -0.01   0.00   0.01    -0.09   0.01   0.06     0.09   0.05  -0.11
    12   8     0.01   0.01   0.05     0.10   0.11   0.01     0.10  -0.08  -0.01
    13   6    -0.00  -0.00   0.01    -0.05  -0.03   0.01     0.18  -0.09  -0.01
    14   1    -0.03  -0.03  -0.32     0.07   0.07   0.01    -0.02   0.16  -0.03
    15   1     0.02   0.03   0.31    -0.17   0.01  -0.09    -0.26   0.11   0.02
    16   1     0.06   0.04   0.45     0.20  -0.11   0.03     0.09  -0.04  -0.05
    17   1    -0.01  -0.05  -0.34     0.30  -0.12   0.16    -0.05  -0.06  -0.04
    18   1     0.04   0.05   0.26     0.18   0.24  -0.23    -0.10  -0.00   0.06
    19   1    -0.07  -0.02  -0.40    -0.28   0.15  -0.02    -0.19  -0.03   0.02
    20   1    -0.02  -0.00   0.00    -0.21  -0.04   0.04     0.04   0.03  -0.23
    21   6    -0.01  -0.00   0.01    -0.08  -0.05   0.05     0.07   0.07  -0.20
    22   6     0.00  -0.00   0.00    -0.02  -0.06   0.06     0.14  -0.04   0.02
    23   1    -0.01  -0.03  -0.09     0.03  -0.21  -0.00     0.14   0.01  -0.01
    24   1    -0.08  -0.02   0.05    -0.18  -0.01   0.03     0.24  -0.09  -0.02
    25   1     0.05   0.03   0.03    -0.14  -0.01   0.02     0.23  -0.09  -0.01
    26   1    -0.00  -0.01   0.01    -0.10  -0.10   0.09     0.07   0.01  -0.16
    27   1    -0.01  -0.01  -0.00    -0.10  -0.06   0.01     0.05   0.07  -0.26
    28   1    -0.01   0.01   0.01    -0.08  -0.04   0.01     0.07   0.08  -0.23
    29   8     0.00  -0.00   0.00     0.05  -0.00   0.06     0.05   0.07   0.18
    30   8    -0.00  -0.01  -0.01    -0.01  -0.06  -0.06     0.01  -0.08   0.02
    31   1     0.00   0.01  -0.01     0.10   0.07  -0.15    -0.30  -0.10   0.16
                     19                     20                     21
                      A                      A                      A
 Frequencies --    483.1789               535.1604               557.3698
 Red. masses --      2.5469                 6.3494                 3.3755
 Frc consts  --      0.3503                 1.0714                 0.6178
 IR Inten    --     14.5977                 2.4527                 6.3802
 RamAct Fr= 1--      0.0727                15.2619                 4.4022
  Dep-P Fr= 1--      0.5639                 0.3983                 0.1722
  Dep-U Fr= 1--      0.7212                 0.5697                 0.2938
 Alpha2 Fr= 1--      0.0003                 0.1137                 0.0643
 Beta2  Fr= 1--      0.0087                 1.4492                 0.2156
 AlphaG Fr= 1--      0.0006                 0.0681                -0.0815
 Gamma2 Fr= 1--      0.2813                 0.0366                 0.2682
 Delta2 Fr= 1--      0.0998                 0.2334                -0.0134
 Raman1 Fr= 1--       0.291                 61.048                 17.609
 ROA1   Fr= 1--      30.194                 10.979                 25.313
 CID1   Fr= 1--     103.886                  0.180                  1.438
 Raman2 Fr= 1--       0.105                 17.390                  2.587
 ROA2   Fr= 1--       5.952                 -0.989                  6.543
 CID2   Fr= 1--      56.789                 -0.057                  2.530
 Raman3 Fr= 1--       0.210                 34.780                  5.173
 ROA3   Fr= 1--      30.194                 10.979                 25.313
 CID3   Fr= 1--     144.049                  0.316                  4.893
 RC180  Fr= 1--       0.442                  0.139                 -0.412
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.07    -0.06   0.12  -0.04     0.08  -0.04   0.11
     2   6     0.00   0.00   0.05    -0.27   0.21   0.01    -0.04  -0.04  -0.01
     3   6    -0.01  -0.01  -0.12     0.07   0.17  -0.03     0.09  -0.06   0.01
     4   6     0.02   0.02   0.19     0.13  -0.05   0.02     0.07   0.00  -0.10
     5   6     0.02   0.02   0.20    -0.12   0.02  -0.01    -0.03   0.07   0.05
     6   6    -0.01  -0.01  -0.10    -0.23   0.06   0.02    -0.07   0.07  -0.01
     7   6    -0.01  -0.01  -0.10     0.25  -0.10   0.00     0.04  -0.04  -0.04
     8   6     0.01   0.00   0.05     0.27  -0.16  -0.04     0.05  -0.08   0.07
     9   6     0.00   0.00   0.04     0.04  -0.07   0.03    -0.08  -0.05  -0.11
    10   6    -0.01  -0.01  -0.11    -0.07  -0.11  -0.00    -0.04  -0.00   0.06
    11   6    -0.00   0.00   0.00     0.02   0.01   0.05    -0.10   0.01  -0.08
    12   8    -0.00  -0.00  -0.01    -0.04  -0.06   0.02     0.04   0.10  -0.04
    13   6    -0.00   0.00  -0.00     0.05   0.02  -0.01    -0.06   0.04  -0.00
    14   1    -0.01  -0.01  -0.12    -0.25   0.22   0.05    -0.16  -0.15  -0.18
    15   1    -0.04  -0.05  -0.49    -0.06   0.22   0.00     0.14  -0.09  -0.08
    16   1    -0.05  -0.04  -0.46    -0.16   0.05   0.06    -0.14   0.08  -0.15
    17   1    -0.04  -0.04  -0.42     0.24  -0.10  -0.01    -0.03   0.00   0.09
    18   1    -0.00  -0.01  -0.05     0.33  -0.11  -0.10     0.11  -0.03   0.29
    19   1    -0.04  -0.04  -0.45     0.00  -0.14  -0.02     0.06  -0.03   0.15
    20   1     0.00   0.00   0.00     0.06   0.03   0.08    -0.10   0.02  -0.15
    21   6    -0.00  -0.00   0.00    -0.01  -0.03   0.05     0.02   0.03  -0.10
    22   6     0.00   0.00  -0.00    -0.01   0.01   0.01    -0.07  -0.06   0.04
    23   1    -0.00   0.00   0.00    -0.01   0.15  -0.01     0.01  -0.11   0.01
    24   1     0.00  -0.00   0.00     0.13   0.01  -0.02    -0.15   0.04   0.02
    25   1    -0.01   0.01   0.00     0.14   0.01  -0.01    -0.17   0.06   0.01
    26   1     0.01  -0.01   0.00    -0.05  -0.06   0.08     0.06   0.03  -0.11
    27   1     0.00   0.00  -0.00    -0.01  -0.03   0.04     0.09   0.06  -0.16
    28   1    -0.00   0.00   0.02    -0.02  -0.04   0.01     0.03  -0.05  -0.01
    29   8    -0.00  -0.00  -0.00    -0.01  -0.06  -0.04     0.04   0.10   0.09
    30   8    -0.00   0.00  -0.00    -0.02   0.01  -0.04     0.01  -0.07   0.05
    31   1    -0.02   0.00   0.01    -0.03   0.10  -0.06     0.56  -0.09  -0.17
                     22                     23                     24
                      A                      A                      A
 Frequencies --    577.8960               596.4236               617.4476
 Red. masses --      2.8086                 1.8152                 3.4111
 Frc consts  --      0.5526                 0.3804                 0.7662
 IR Inten    --     42.0122                60.6067                24.2823
 RamAct Fr= 1--      3.5500                 2.4240                 1.4913
  Dep-P Fr= 1--      0.3974                 0.7295                 0.5120
  Dep-U Fr= 1--      0.5688                 0.8436                 0.6773
 Alpha2 Fr= 1--      0.0265                 0.0008                 0.0070
 Beta2  Fr= 1--      0.3365                 0.3408                 0.1683
 AlphaG Fr= 1--      0.0884                -0.0075                -0.0467
 Gamma2 Fr= 1--      0.5857                -0.1959                 0.7426
 Delta2 Fr= 1--     -0.1243                -0.8585                 0.6696
 Raman1 Fr= 1--      14.200                  9.696                  5.965
 ROA1   Fr= 1--      52.250                -46.276                 92.722
 CID1   Fr= 1--       3.680                 -4.773                 15.544
 Raman2 Fr= 1--       4.038                  4.090                  2.020
 ROA2   Fr= 1--      15.051                  2.167                 12.466
 CID2   Fr= 1--       3.727                  0.530                  6.171
 Raman3 Fr= 1--       8.077                  8.180                  4.040
 ROA3   Fr= 1--      52.250                -46.276                 92.722
 CID3   Fr= 1--       6.469                 -5.657                 22.950
 RC180  Fr= 1--       0.138                  0.687                  0.355
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.08   0.13    -0.03  -0.01  -0.11    -0.05   0.02  -0.11
     2   6     0.01   0.05  -0.03     0.03  -0.00   0.03    -0.01   0.02   0.04
     3   6    -0.04   0.11  -0.01     0.00   0.02   0.01     0.07   0.10   0.00
     4   6    -0.02  -0.03  -0.08     0.01   0.02   0.07     0.10  -0.02   0.05
     5   6     0.08  -0.06   0.06     0.02  -0.01  -0.05     0.07  -0.02  -0.04
     6   6     0.07  -0.10   0.01     0.03  -0.02  -0.03     0.01  -0.08  -0.03
     7   6     0.01  -0.01  -0.03    -0.01  -0.00   0.01     0.01  -0.12  -0.00
     8   6     0.01   0.07   0.03    -0.01  -0.02  -0.00    -0.02  -0.01   0.02
     9   6     0.03   0.03  -0.14     0.01   0.00   0.10    -0.07   0.04   0.06
    10   6     0.07   0.04   0.02     0.02  -0.01  -0.00     0.04   0.11   0.00
    11   6     0.01  -0.03  -0.00    -0.03   0.09   0.00    -0.11  -0.10  -0.09
    12   8    -0.10  -0.13  -0.00    -0.03  -0.03   0.03    -0.06  -0.05   0.03
    13   6     0.04  -0.02  -0.01    -0.00   0.00   0.00    -0.02   0.02   0.00
    14   1     0.14   0.15  -0.30     0.08   0.04   0.25     0.10   0.11   0.26
    15   1    -0.10   0.12  -0.13     0.03   0.03   0.12     0.10   0.11   0.13
    16   1     0.10  -0.13  -0.16     0.04  -0.00   0.12     0.04  -0.07   0.10
    17   1     0.10  -0.02   0.15    -0.05  -0.01  -0.17    -0.01  -0.13  -0.18
    18   1     0.05   0.11   0.27    -0.03  -0.05  -0.19     0.07   0.06  -0.15
    19   1     0.02   0.08   0.14     0.03  -0.02  -0.11     0.05   0.09  -0.09
    20   1     0.02  -0.03   0.04    -0.01   0.10  -0.05    -0.18  -0.12  -0.12
    21   6    -0.02  -0.01   0.02     0.03   0.04  -0.08    -0.01  -0.01  -0.00
    22   6    -0.07  -0.01   0.03    -0.04  -0.02   0.06    -0.02  -0.03  -0.11
    23   1    -0.06   0.18  -0.02    -0.02   0.05   0.00    -0.06   0.10   0.00
    24   1     0.18  -0.05  -0.02     0.02   0.01  -0.01     0.03   0.02  -0.01
    25   1     0.16  -0.02  -0.01     0.04  -0.01  -0.00     0.05  -0.00  -0.01
    26   1    -0.07   0.00   0.03     0.04  -0.06  -0.03     0.13   0.14  -0.15
    27   1    -0.06  -0.03   0.08     0.10   0.08  -0.24     0.03   0.00   0.09
    28   1    -0.03   0.03  -0.04     0.04  -0.06  -0.05     0.01  -0.00   0.20
    29   8     0.00   0.01  -0.01     0.02  -0.03   0.03    -0.02   0.17   0.02
    30   8    -0.02  -0.00   0.02    -0.06  -0.03  -0.02     0.08  -0.06   0.08
    31   1     0.54   0.06  -0.24     0.66   0.21  -0.40    -0.16  -0.48   0.33
                     25                     26                     27
                      A                      A                      A
 Frequencies --    636.6200               684.9949               691.9348
 Red. masses --      2.5507                 3.3633                 4.8409
 Frc consts  --      0.6091                 0.9298                 1.3656
 IR Inten    --     14.2091                21.1621                 5.0547
 RamAct Fr= 1--      1.5422                 0.3027                 2.2861
  Dep-P Fr= 1--      0.7491                 0.7479                 0.0734
  Dep-U Fr= 1--      0.8566                 0.8558                 0.1367
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0427
 Beta2  Fr= 1--      0.2202                 0.0432                 0.0521
 AlphaG Fr= 1--     -0.0011                 0.0033                 0.0472
 Gamma2 Fr= 1--     -0.2719                -0.5879                 0.1175
 Delta2 Fr= 1--     -0.1887                 0.1970                -0.0831
 Raman1 Fr= 1--       6.169                  1.211                  9.144
 ROA1   Fr= 1--     -32.144                -50.138                  8.617
 CID1   Fr= 1--      -5.211                -41.411                  0.942
 Raman2 Fr= 1--       2.642                  0.518                  0.625
 ROA2   Fr= 1--      -5.016                -15.686                  3.484
 CID2   Fr= 1--      -1.899                -30.278                  5.574
 Raman3 Fr= 1--       5.284                  1.036                  1.250
 ROA3   Fr= 1--     -32.144                -50.138                  8.617
 CID3   Fr= 1--      -6.083                -48.389                  6.893
 RC180  Fr= 1--       0.713                  0.712                 -0.727
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.07     0.03   0.03   0.22    -0.03  -0.01   0.09
     2   6    -0.02   0.02   0.03    -0.05  -0.02  -0.10     0.17   0.03  -0.06
     3   6    -0.07  -0.07   0.03     0.02   0.01  -0.07    -0.11  -0.08  -0.01
     4   6    -0.07  -0.01   0.04     0.02  -0.02  -0.05    -0.07   0.04  -0.01
     5   6    -0.06  -0.01  -0.00     0.00  -0.01  -0.10    -0.06   0.01  -0.04
     6   6    -0.04   0.04  -0.03    -0.03  -0.03   0.14     0.17   0.17   0.01
     7   6     0.03   0.09  -0.03    -0.02  -0.04   0.12     0.13   0.20   0.01
     8   6     0.04   0.06   0.02    -0.05  -0.01  -0.09     0.16  -0.01  -0.05
     9   6     0.08   0.00   0.00     0.02   0.03   0.23     0.01  -0.03   0.09
    10   6    -0.02  -0.05   0.02     0.01   0.03  -0.08    -0.09  -0.15   0.01
    11   6     0.11  -0.15  -0.05     0.03  -0.03  -0.01    -0.14   0.05  -0.01
    12   8     0.05   0.04   0.00     0.02   0.02  -0.03    -0.11  -0.11   0.01
    13   6     0.03  -0.02   0.00     0.00   0.00  -0.00    -0.02  -0.00   0.00
    14   1    -0.06  -0.01   0.19    -0.09  -0.05  -0.46     0.16   0.02  -0.18
    15   1    -0.11  -0.04   0.11    -0.00  -0.01  -0.34    -0.11  -0.09  -0.10
    16   1    -0.02   0.04   0.04    -0.04  -0.02   0.11     0.23   0.15   0.02
    17   1     0.09   0.06  -0.14    -0.03  -0.04   0.07     0.15   0.18  -0.04
    18   1    -0.02   0.01  -0.03    -0.07  -0.04  -0.44     0.09  -0.07  -0.20
    19   1    -0.09  -0.02   0.01    -0.01   0.02  -0.23    -0.08  -0.17  -0.08
    20   1     0.10  -0.16   0.05    -0.01  -0.05  -0.02    -0.16   0.05  -0.08
    21   6    -0.01  -0.04   0.05     0.01   0.01  -0.01    -0.02  -0.00   0.01
    22   6    -0.02   0.01  -0.10     0.07   0.01  -0.08    -0.08  -0.04  -0.03
    23   1     0.06  -0.08   0.01     0.02  -0.04  -0.01    -0.10   0.17  -0.01
    24   1    -0.02  -0.01   0.00    -0.01  -0.01   0.01     0.11  -0.03  -0.01
    25   1    -0.01  -0.02   0.00    -0.04   0.02   0.00     0.10  -0.02  -0.00
    26   1    -0.04   0.14  -0.04     0.06   0.07  -0.06     0.09  -0.05  -0.01
    27   1    -0.14  -0.10   0.34     0.01   0.00   0.05     0.11   0.06  -0.15
    28   1    -0.03   0.15  -0.02     0.02   0.04   0.04     0.01  -0.17   0.19
    29   8    -0.06   0.08  -0.03    -0.05   0.03  -0.00     0.01   0.09   0.00
    30   8    -0.02  -0.01   0.08    -0.04  -0.02   0.04     0.05  -0.08   0.00
    31   1     0.68  -0.17  -0.16     0.36  -0.07  -0.11    -0.18  -0.29   0.17
                     28                     29                     30
                      A                      A                      A
 Frequencies --    757.7788               778.6814               799.9287
 Red. masses --      5.5307                 2.5411                 3.3995
 Frc consts  --      1.8712                 0.9078                 1.2816
 IR Inten    --     23.8688                 2.3281                13.0185
 RamAct Fr= 1--     42.2221                 7.1090                34.6823
  Dep-P Fr= 1--      0.0696                 0.0817                 0.0907
  Dep-U Fr= 1--      0.1301                 0.1511                 0.1663
 Alpha2 Fr= 1--      0.7958                 0.1301                 0.6212
 Beta2  Fr= 1--      0.9157                 0.1791                 0.9611
 AlphaG Fr= 1--      0.1789                 0.1081                -0.4670
 Gamma2 Fr= 1--     -0.2128                 0.9797                -1.1958
 Delta2 Fr= 1--      0.0524                -0.2944                 0.3134
 Raman1 Fr= 1--     168.888                 28.436                138.729
 ROA1   Fr= 1--     -18.748                 84.625               -104.768
 CID1   Fr= 1--      -0.111                  2.976                 -0.755
 Raman2 Fr= 1--      10.988                  2.149                 11.533
 ROA2   Fr= 1--      -5.526                 25.867                -31.207
 CID2   Fr= 1--      -0.503                 12.038                 -2.706
 Raman3 Fr= 1--      21.977                  4.298                 23.067
 ROA3   Fr= 1--     -18.748                 84.625               -104.768
 CID3   Fr= 1--      -0.853                 19.691                 -4.542
 RC180  Fr= 1--      -0.740                 -0.698                 -0.667
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.05  -0.03     0.01   0.01   0.11     0.00  -0.00   0.01
     2   6     0.12   0.07   0.01    -0.01   0.00  -0.12     0.03  -0.04  -0.05
     3   6    -0.00  -0.11   0.02    -0.02  -0.03  -0.01     0.09   0.09   0.00
     4   6     0.03  -0.10  -0.01     0.01  -0.01   0.19     0.05   0.09   0.09
     5   6    -0.04   0.11   0.03    -0.02  -0.00  -0.19    -0.04  -0.06  -0.03
     6   6     0.11   0.32  -0.05     0.01   0.05   0.01     0.02  -0.11   0.00
     7   6    -0.01  -0.26   0.01    -0.01  -0.05  -0.03     0.00   0.11  -0.09
     8   6    -0.03  -0.06  -0.01     0.00   0.01   0.10     0.01  -0.02  -0.02
     9   6    -0.09   0.04  -0.01    -0.00  -0.00  -0.09    -0.06  -0.01  -0.04
    10   6    -0.05   0.11  -0.02     0.02   0.03   0.04    -0.11  -0.08   0.01
    11   6     0.06  -0.06  -0.02     0.02  -0.03  -0.01    -0.07   0.03  -0.01
    12   8    -0.12  -0.11   0.03    -0.01  -0.01  -0.01    -0.00  -0.00   0.00
    13   6    -0.07   0.04   0.00    -0.00   0.00  -0.00    -0.02   0.01   0.00
    14   1    -0.00  -0.02  -0.01     0.00   0.02   0.26     0.13   0.04   0.19
    15   1    -0.02  -0.10   0.07    -0.09  -0.07  -0.49     0.17   0.01  -0.38
    16   1     0.13   0.31  -0.14     0.05   0.10   0.48     0.09  -0.12   0.19
    17   1     0.01  -0.25   0.16    -0.02  -0.09  -0.38    -0.07   0.19   0.25
    18   1     0.15   0.09   0.11     0.01   0.02  -0.07     0.01  -0.00   0.41
    19   1    -0.02   0.11   0.02     0.06   0.05   0.33    -0.13  -0.05   0.25
    20   1    -0.03  -0.11   0.02     0.04  -0.02   0.03    -0.16  -0.01  -0.09
    21   6     0.01  -0.02   0.00     0.01   0.00  -0.02    -0.03  -0.03   0.05
    22   6     0.22   0.05  -0.05    -0.07  -0.01   0.05     0.27   0.04  -0.11
    23   1    -0.15   0.22  -0.01    -0.01   0.02   0.02    -0.01   0.01   0.01
    24   1     0.05   0.02  -0.01     0.01  -0.00  -0.00    -0.01   0.01   0.00
    25   1     0.06   0.02  -0.00    -0.00   0.00  -0.00    -0.02   0.01   0.00
    26   1     0.01   0.13  -0.08    -0.04   0.02  -0.01     0.08   0.02  -0.03
    27   1    -0.07  -0.06   0.21    -0.04  -0.02   0.04     0.05   0.00   0.03
    28   1    -0.00   0.13  -0.03    -0.00   0.06  -0.09    -0.01  -0.11   0.21
    29   8    -0.04  -0.07   0.04     0.03  -0.01  -0.01    -0.06  -0.03   0.05
    30   8    -0.07   0.07   0.03     0.02   0.03  -0.01    -0.07   0.01   0.03
    31   1     0.23   0.23  -0.15    -0.09   0.04   0.03     0.17   0.10  -0.10
                     31                     32                     33
                      A                      A                      A
 Frequencies --    814.9915               818.0111               842.1863
 Red. masses --      1.9202                 1.6897                 2.3354
 Frc consts  --      0.7514                 0.6662                 0.9760
 IR Inten    --      5.0373                16.9108                 0.6158
 RamAct Fr= 1--      2.1811                 0.2144                 1.3494
  Dep-P Fr= 1--      0.4294                 0.7230                 0.2053
  Dep-U Fr= 1--      0.6008                 0.8392                 0.3407
 Alpha2 Fr= 1--      0.0145                 0.0001                 0.0181
 Beta2  Fr= 1--      0.2184                 0.0300                 0.0766
 AlphaG Fr= 1--     -0.0606                -0.0011                 0.0017
 Gamma2 Fr= 1--      1.2628                 0.3269                 1.0253
 Delta2 Fr= 1--     -0.3470                 0.0824                 0.4497
 Raman1 Fr= 1--       8.725                  0.858                  5.398
 ROA1   Fr= 1--     110.129                 34.017                112.824
 CID1   Fr= 1--      12.623                 39.670                 20.903
 Raman2 Fr= 1--       2.621                  0.360                  0.919
 ROA2   Fr= 1--      33.084                  7.186                 21.010
 CID2   Fr= 1--      12.624                 19.969                 22.851
 Raman3 Fr= 1--       5.241                  0.720                  1.839
 ROA3   Fr= 1--     110.129                 34.017                112.824
 CID3   Fr= 1--      21.011                 47.269                 61.355
 RC180  Fr= 1--       0.202                  0.678                 -0.319
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.01     0.01   0.01   0.09     0.01  -0.01  -0.06
     2   6    -0.03   0.00  -0.03    -0.01  -0.01  -0.10     0.02   0.01   0.03
     3   6    -0.05  -0.03   0.04     0.01   0.01  -0.00     0.05   0.02   0.04
     4   6    -0.02  -0.02   0.05    -0.00  -0.00  -0.09     0.03   0.01   0.05
     5   6     0.03   0.03   0.01     0.01   0.01   0.12    -0.03  -0.02  -0.04
     6   6    -0.02   0.03  -0.02    -0.01  -0.02  -0.10     0.01  -0.00   0.03
     7   6    -0.02  -0.06  -0.07     0.01   0.01   0.03     0.00   0.02  -0.08
     8   6    -0.01  -0.02  -0.08    -0.00   0.00  -0.03    -0.01   0.01  -0.08
     9   6     0.04   0.01   0.05    -0.00   0.00   0.02    -0.00   0.01   0.12
    10   6     0.07   0.03  -0.03    -0.01  -0.00   0.03    -0.05  -0.02   0.01
    11   6     0.03   0.09   0.07    -0.01  -0.04  -0.03     0.01  -0.13  -0.04
    12   8     0.01   0.01   0.00    -0.00  -0.00  -0.02    -0.01  -0.01   0.02
    13   6     0.02  -0.01   0.00    -0.00   0.00  -0.00    -0.02   0.01   0.00
    14   1    -0.03   0.01   0.23     0.07   0.07   0.64     0.00  -0.01  -0.17
    15   1    -0.14  -0.05  -0.30     0.02   0.01   0.03     0.05  -0.03  -0.36
    16   1    -0.04   0.07   0.15     0.06   0.04   0.52     0.04  -0.04  -0.13
    17   1     0.07  -0.02   0.53     0.01   0.02   0.08     0.06   0.09   0.54
    18   1     0.05   0.05   0.48    -0.00   0.00  -0.03     0.03   0.06   0.36
    19   1     0.11   0.02  -0.04    -0.08  -0.04  -0.45    -0.11  -0.01  -0.12
    20   1     0.08   0.12   0.01    -0.02  -0.05  -0.00    -0.02  -0.15   0.06
    21   6    -0.00   0.02   0.04     0.00  -0.00  -0.02     0.03   0.02  -0.11
    22   6    -0.03   0.00  -0.06    -0.01  -0.00   0.03    -0.12  -0.03   0.10
    23   1     0.02  -0.02   0.01    -0.00   0.01   0.03    -0.02   0.03  -0.01
    24   1     0.01  -0.01  -0.00     0.00   0.01  -0.01    -0.01   0.01   0.00
    25   1     0.01  -0.01  -0.00    -0.01  -0.00  -0.01    -0.00   0.01   0.00
    26   1    -0.05  -0.18   0.18     0.02   0.07  -0.07     0.05   0.23  -0.24
    27   1     0.03   0.04  -0.17    -0.01  -0.01   0.06    -0.05  -0.03   0.18
    28   1     0.00  -0.08  -0.04    -0.00   0.04   0.01     0.02   0.18  -0.08
    29   8    -0.03   0.06  -0.03     0.01  -0.02   0.01     0.05  -0.03   0.00
    30   8     0.01  -0.10  -0.01     0.00   0.04   0.00     0.02   0.08  -0.00
    31   1     0.05  -0.23   0.02    -0.03   0.08   0.00    -0.09   0.12   0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --    851.6811               896.3611               917.0133
 Red. masses --      3.1362                 1.7087                 1.5513
 Frc consts  --      1.3403                 0.8089                 0.7686
 IR Inten    --      3.4490                33.1949                11.2392
 RamAct Fr= 1--     19.3871                 2.1429                 2.2105
  Dep-P Fr= 1--      0.0645                 0.7178                 0.5023
  Dep-U Fr= 1--      0.1212                 0.8357                 0.6687
 Alpha2 Fr= 1--      0.3699                 0.0012                 0.0108
 Beta2  Fr= 1--      0.3916                 0.2985                 0.2464
 AlphaG Fr= 1--      0.4592                 0.0070                 0.1149
 Gamma2 Fr= 1--     -2.1062                -0.1806                 0.3149
 Delta2 Fr= 1--     -0.4002                -0.2343                 0.2624
 Raman1 Fr= 1--      77.549                  8.572                  8.842
 ROA1   Fr= 1--    -215.001                -24.833                 38.626
 CID1   Fr= 1--      -2.772                 -2.897                  4.368
 Raman2 Fr= 1--       4.699                  3.582                  2.956
 ROA2   Fr= 1--     -47.346                 -2.459                  5.458
 CID2   Fr= 1--     -10.076                 -0.687                  1.846
 Raman3 Fr= 1--       9.398                  7.163                  5.913
 ROA3   Fr= 1--    -215.001                -24.833                 38.626
 CID3   Fr= 1--     -22.878                 -3.467                  6.532
 RC180  Fr= 1--      -0.758                  0.671                  0.337
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.03   0.01     0.01   0.01   0.09    -0.00   0.00   0.01
     2   6     0.04   0.01  -0.01    -0.00  -0.00  -0.02     0.00  -0.01  -0.06
     3   6     0.17   0.06  -0.04    -0.02  -0.02  -0.18    -0.01   0.00   0.01
     4   6     0.08   0.03  -0.02     0.01   0.01   0.11    -0.01   0.00  -0.03
     5   6    -0.08  -0.04   0.03    -0.00  -0.00  -0.03     0.01   0.01   0.08
     6   6     0.03   0.01  -0.01     0.00  -0.00   0.02     0.00  -0.01   0.01
     7   6    -0.06  -0.02   0.03    -0.00  -0.00  -0.05     0.01   0.01   0.01
     8   6    -0.08   0.03   0.01    -0.00  -0.01  -0.05     0.01  -0.01   0.00
     9   6    -0.01   0.03  -0.02    -0.00   0.00   0.02    -0.01   0.01   0.07
    10   6    -0.16  -0.07   0.02     0.00   0.00   0.00    -0.02  -0.00  -0.16
    11   6     0.17   0.05   0.09    -0.00  -0.01   0.00    -0.00  -0.02   0.02
    12   8    -0.04  -0.06   0.01    -0.00  -0.00  -0.02     0.00   0.00  -0.01
    13   6    -0.07   0.06   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.04   0.00   0.04     0.01   0.00   0.03     0.06   0.04   0.41
    15   1     0.35   0.01   0.06     0.08   0.09   0.87    -0.01   0.01   0.02
    16   1     0.15  -0.03   0.01    -0.00  -0.00  -0.01    -0.02  -0.03  -0.22
    17   1    -0.16   0.01  -0.09     0.02   0.02   0.12    -0.01   0.01  -0.02
    18   1    -0.11   0.00  -0.05     0.04   0.04   0.36     0.01  -0.02  -0.06
    19   1    -0.34  -0.01   0.04     0.01   0.00   0.03     0.10   0.08   0.83
    20   1     0.18   0.06   0.20    -0.01  -0.02   0.01    -0.03  -0.04   0.06
    21   6     0.07   0.02   0.02     0.00   0.00  -0.02     0.02   0.01  -0.04
    22   6    -0.09   0.01  -0.03    -0.01  -0.00   0.01    -0.02  -0.01   0.01
    23   1    -0.09   0.10   0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
    24   1    -0.03   0.04  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    25   1    -0.03   0.04  -0.00    -0.00   0.00  -0.00     0.00  -0.01  -0.00
    26   1    -0.21  -0.17   0.24     0.01   0.03  -0.03     0.01   0.07  -0.07
    27   1    -0.14  -0.07   0.00     0.00   0.00   0.01    -0.02  -0.00   0.04
    28   1     0.01   0.17  -0.39     0.00   0.02   0.00     0.01   0.05  -0.04
    29   8    -0.02   0.05  -0.06     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   8     0.03  -0.10  -0.02     0.00   0.01  -0.00     0.00   0.01  -0.00
    31   1     0.03  -0.24   0.03    -0.00   0.00   0.00    -0.01  -0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    936.9969               949.5309               961.9769
 Red. masses --      3.7074                 1.3762                 1.3341
 Frc consts  --      1.9178                 0.7310                 0.7274
 IR Inten    --     11.9293                 2.6233                 0.8659
 RamAct Fr= 1--      6.3517                 1.0181                 1.6056
  Dep-P Fr= 1--      0.4048                 0.5109                 0.6331
  Dep-U Fr= 1--      0.5763                 0.6762                 0.7753
 Alpha2 Fr= 1--      0.0462                 0.0048                 0.0034
 Beta2  Fr= 1--      0.6101                 0.1147                 0.2075
 AlphaG Fr= 1--      0.1258                -0.0006                 0.0861
 Gamma2 Fr= 1--      3.5654                -0.8257                 0.4385
 Delta2 Fr= 1--     -1.9660                 0.5084                 0.1350
 Raman1 Fr= 1--      25.407                  4.072                  6.422
 ROA1   Fr= 1--     279.365                -62.995                 46.415
 CID1   Fr= 1--      10.996                -15.469                  7.227
 Raman2 Fr= 1--       7.321                  1.377                  2.490
 ROA2   Fr= 1--     101.297                -23.883                  9.444
 CID2   Fr= 1--      13.836                -17.345                  3.793
 Raman3 Fr= 1--      14.643                  2.754                  4.979
 ROA3   Fr= 1--     279.365                -62.995                 46.415
 CID3   Fr= 1--      19.078                -22.875                  9.322
 RC180  Fr= 1--       0.153                  0.352                  0.551
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.03  -0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.01
     2   6    -0.12   0.19  -0.03     0.00   0.03   0.09    -0.01   0.01  -0.01
     3   6     0.11  -0.12  -0.00     0.01  -0.01  -0.01     0.00  -0.01   0.03
     4   6     0.05  -0.07   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.02
     5   6     0.03  -0.06   0.01     0.01  -0.00   0.05     0.00  -0.00  -0.01
     6   6    -0.03   0.04   0.02    -0.01  -0.01  -0.12     0.00  -0.00   0.02
     7   6    -0.04   0.02  -0.01     0.00   0.01   0.01     0.01   0.02   0.11
     8   6    -0.13   0.20  -0.00    -0.01   0.01  -0.02    -0.01  -0.01  -0.12
     9   6     0.12  -0.03   0.01     0.01  -0.00   0.03     0.00  -0.00   0.01
    10   6     0.09  -0.13  -0.02     0.00  -0.01  -0.07     0.01   0.00   0.01
    11   6    -0.06   0.01  -0.06    -0.01  -0.01   0.01    -0.00  -0.01   0.01
    12   8    -0.01  -0.07   0.01    -0.00  -0.01   0.00     0.00  -0.00   0.00
    13   6    -0.08   0.08   0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    14   1    -0.18   0.15   0.15    -0.06  -0.04  -0.54    -0.00   0.02   0.05
    15   1     0.20  -0.16   0.02     0.01  -0.01   0.03    -0.00  -0.02  -0.10
    16   1     0.15  -0.04  -0.17     0.09   0.06   0.73     0.00  -0.02  -0.10
    17   1     0.18  -0.05   0.07     0.00  -0.00  -0.06    -0.07  -0.07  -0.67
    18   1    -0.23   0.13  -0.05    -0.00   0.02   0.10     0.07   0.08   0.68
    19   1     0.14  -0.14   0.14     0.05   0.02   0.32     0.01  -0.01  -0.05
    20   1     0.03   0.06  -0.24    -0.01  -0.01   0.01    -0.01  -0.01   0.00
    21   6    -0.08  -0.01   0.03     0.00   0.01  -0.01    -0.00   0.00  -0.01
    22   6    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    23   1    -0.10   0.12   0.00    -0.01   0.01  -0.01    -0.00   0.01   0.00
    24   1    -0.04   0.06   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    25   1    -0.04   0.06  -0.01    -0.01   0.01   0.00    -0.00   0.00  -0.00
    26   1     0.14  -0.05  -0.04     0.01   0.02  -0.03     0.01   0.02  -0.02
    27   1     0.17   0.10  -0.17     0.01   0.01  -0.00     0.01   0.01   0.00
    28   1    -0.02  -0.29   0.35     0.00  -0.00   0.01     0.00   0.00   0.01
    29   8     0.01  -0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   8    -0.00   0.02   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    31   1    -0.01   0.05   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    980.5783              1013.3083              1064.4489
 Red. masses --      3.5449                 2.0895                 1.9344
 Frc consts  --      2.0083                 1.2641                 1.2913
 IR Inten    --      0.9238                41.9814                55.0189
 RamAct Fr= 1--     15.8969                 6.0640                 6.2311
  Dep-P Fr= 1--      0.1259                 0.4554                 0.5114
  Dep-U Fr= 1--      0.2236                 0.6258                 0.6767
 Alpha2 Fr= 1--      0.2611                 0.0364                 0.0291
 Beta2  Fr= 1--      0.5925                 0.6325                 0.7028
 AlphaG Fr= 1--     -0.2686                 0.1627                 0.1112
 Gamma2 Fr= 1--     -1.1150                 0.8352                 0.0657
 Delta2 Fr= 1--     -0.5776                 1.2663                -1.0492
 Raman1 Fr= 1--      63.588                 24.256                 24.924
 ROA1   Fr= 1--    -125.524                120.701                -27.266
 CID1   Fr= 1--      -1.974                  4.976                 -1.094
 Raman2 Fr= 1--       7.110                  7.590                  8.434
 ROA2   Fr= 1--     -22.139                  9.915                  9.971
 CID2   Fr= 1--      -3.114                  1.306                  1.182
 Raman3 Fr= 1--      14.220                 15.180                 16.868
 ROA3   Fr= 1--    -125.524                120.701                -27.266
 CID3   Fr= 1--      -8.827                  7.951                 -1.616
 RC180  Fr= 1--      -0.553                  0.252                  0.353
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.01  -0.01    -0.00  -0.00   0.00     0.01   0.00  -0.00
     2   6    -0.06   0.23  -0.02    -0.02  -0.00   0.00     0.01  -0.01  -0.00
     3   6    -0.01  -0.22   0.02     0.00   0.00   0.00     0.00   0.01  -0.00
     4   6     0.00   0.03  -0.00     0.00  -0.02   0.00    -0.01   0.01   0.00
     5   6     0.01  -0.03  -0.00     0.03   0.00  -0.01    -0.03  -0.01   0.00
     6   6     0.00  -0.12   0.02    -0.01   0.02   0.00     0.00   0.00  -0.00
     7   6     0.00   0.13  -0.02     0.01  -0.01  -0.00    -0.03  -0.01   0.01
     8   6     0.05  -0.17   0.03    -0.03   0.08   0.01     0.02  -0.07   0.00
     9   6    -0.09  -0.00  -0.01    -0.01  -0.02  -0.04     0.07   0.04  -0.01
    10   6     0.03   0.18  -0.00     0.04  -0.07   0.02    -0.02   0.06  -0.01
    11   6    -0.00  -0.00   0.06    -0.09   0.02   0.15     0.07   0.08  -0.08
    12   8    -0.00  -0.04   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.00
    13   6    -0.05   0.03   0.00     0.00  -0.00  -0.00    -0.01   0.01  -0.00
    14   1     0.07   0.34  -0.03    -0.04  -0.02   0.01    -0.01  -0.03   0.00
    15   1     0.06  -0.25   0.02    -0.02   0.01  -0.00    -0.01   0.01   0.00
    16   1     0.34  -0.26  -0.03    -0.06   0.04  -0.01     0.02  -0.01   0.01
    17   1    -0.28   0.25   0.05     0.16  -0.06  -0.01    -0.21   0.05   0.01
    18   1    -0.06  -0.26  -0.04    -0.01   0.09  -0.07    -0.01  -0.10   0.03
    19   1     0.03   0.17  -0.12     0.15  -0.13  -0.10    -0.24   0.16   0.06
    20   1    -0.04  -0.02   0.19    -0.14  -0.03   0.61     0.28   0.16   0.09
    21   6     0.05   0.02  -0.03     0.03  -0.00  -0.13    -0.11  -0.10  -0.00
    22   6     0.02   0.02  -0.02     0.05   0.09  -0.00    -0.04   0.07   0.06
    23   1    -0.07   0.08  -0.00     0.01  -0.01   0.00    -0.01   0.01   0.00
    24   1    -0.00   0.03  -0.00    -0.00  -0.00   0.00    -0.01   0.01   0.00
    25   1    -0.00   0.03  -0.00    -0.00  -0.00   0.00    -0.01   0.01  -0.00
    26   1    -0.07   0.04   0.00     0.05   0.37  -0.35     0.22   0.27  -0.34
    27   1    -0.08  -0.04   0.06    -0.04  -0.04   0.28     0.13  -0.01   0.27
    28   1     0.02   0.17  -0.20     0.02   0.25  -0.02    -0.05  -0.15   0.51
    29   8    -0.01   0.00  -0.01    -0.03   0.01  -0.02     0.01   0.01  -0.01
    30   8    -0.00  -0.02  -0.00     0.01  -0.11  -0.01     0.02  -0.09  -0.00
    31   1     0.00  -0.02  -0.00    -0.05   0.06  -0.04    -0.06   0.19  -0.06
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1071.1747              1106.1044              1159.9581
 Red. masses --      3.5758                 2.1296                 1.8478
 Frc consts  --      2.4174                 1.5351                 1.4648
 IR Inten    --     50.5665                10.3560                33.7692
 RamAct Fr= 1--      4.6993                 5.3631                 6.6050
  Dep-P Fr= 1--      0.1129                 0.2616                 0.2559
  Dep-U Fr= 1--      0.2029                 0.4147                 0.4075
 Alpha2 Fr= 1--      0.0797                 0.0615                 0.0770
 Beta2  Fr= 1--      0.1589                 0.3707                 0.4486
 AlphaG Fr= 1--      0.0482                -0.2078                -0.0188
 Gamma2 Fr= 1--      0.4644                -0.4344                -0.9104
 Delta2 Fr= 1--     -0.2411                 2.1464                -0.4895
 Raman1 Fr= 1--      18.797                 21.452                 26.420
 ROA1   Fr= 1--      36.868                 26.983               -103.059
 CID1   Fr= 1--       1.961                  1.258                 -3.901
 Raman2 Fr= 1--       1.907                  4.448                  5.383
 ROA2   Fr= 1--      13.074                -27.596                -17.932
 CID2   Fr= 1--       6.858                 -6.204                 -3.331
 Raman3 Fr= 1--       3.813                  8.896                 10.766
 ROA3   Fr= 1--      36.868                 26.983               -103.059
 CID3   Fr= 1--       9.669                  3.033                 -9.572
 RC180  Fr= 1--      -0.594                 -0.171                 -0.185
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.16  -0.06   0.02     0.00   0.00  -0.00    -0.00   0.01  -0.00
     2   6    -0.03   0.10  -0.01    -0.02   0.01   0.00     0.05   0.02  -0.01
     3   6     0.04  -0.08   0.00    -0.00  -0.01   0.00    -0.02  -0.05   0.01
     4   6     0.06   0.04  -0.01    -0.02   0.02   0.00     0.03   0.01  -0.00
     5   6     0.01  -0.01   0.00     0.02   0.01  -0.00     0.01   0.09  -0.01
     6   6     0.03   0.02  -0.01     0.01  -0.00  -0.00    -0.04  -0.08   0.01
     7   6    -0.01  -0.05   0.01    -0.02  -0.02   0.00     0.01  -0.00  -0.00
     8   6    -0.02   0.03  -0.00    -0.00  -0.01  -0.01    -0.01   0.07  -0.01
     9   6     0.01   0.01   0.00     0.03   0.04   0.03    -0.13  -0.07   0.03
    10   6    -0.03  -0.04   0.00     0.04  -0.06  -0.01    -0.05  -0.03   0.00
    11   6     0.02   0.02  -0.02    -0.06   0.17  -0.16     0.06  -0.00  -0.06
    12   8    -0.15   0.21  -0.00     0.02  -0.01  -0.00     0.02  -0.01  -0.00
    13   6     0.18  -0.21   0.00    -0.01   0.02  -0.00    -0.03   0.00   0.00
    14   1     0.12   0.23  -0.04    -0.04  -0.00   0.00     0.47   0.35  -0.08
    15   1     0.64  -0.33  -0.03     0.02  -0.02   0.00    -0.07  -0.04   0.01
    16   1     0.24  -0.05  -0.02    -0.00   0.00   0.00    -0.32   0.02   0.03
    17   1    -0.06  -0.03   0.01    -0.04  -0.02   0.01     0.12  -0.04  -0.00
    18   1     0.05   0.08  -0.01    -0.00  -0.01   0.04     0.23   0.28  -0.05
    19   1    -0.09  -0.01   0.03     0.12  -0.09   0.03     0.32  -0.17  -0.00
    20   1     0.02   0.02  -0.01    -0.39   0.02  -0.06     0.30   0.11  -0.08
    21   6    -0.01  -0.02   0.01     0.09  -0.12   0.07     0.00  -0.02   0.03
    22   6    -0.01   0.01   0.01    -0.02  -0.03   0.01    -0.00   0.05   0.03
    23   1     0.16  -0.17   0.00    -0.00   0.00   0.00    -0.05   0.04  -0.00
    24   1     0.09  -0.14  -0.01    -0.01   0.01   0.00     0.04   0.00  -0.01
    25   1     0.10  -0.14   0.02    -0.01   0.01  -0.00     0.05  -0.00   0.00
    26   1     0.02   0.02  -0.03    -0.26   0.07   0.11    -0.00  -0.02   0.03
    27   1     0.00  -0.01   0.05    -0.31  -0.30   0.48    -0.00  -0.02   0.01
    28   1    -0.01  -0.02   0.06     0.01   0.34  -0.27    -0.00  -0.00  -0.02
    29   8     0.00   0.00  -0.00     0.02   0.00   0.02    -0.01   0.01  -0.01
    30   8     0.00  -0.01   0.00     0.00   0.00   0.00     0.02  -0.05   0.01
    31   1    -0.01   0.03  -0.01    -0.03   0.10  -0.02    -0.06   0.23  -0.05
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1172.6567              1173.6540              1187.6683
 Red. masses --      1.2713                 1.7436                 1.7069
 Frc consts  --      1.0300                 1.4150                 1.4186
 IR Inten    --      0.7728                50.0334                60.2547
 RamAct Fr= 1--      0.9674                19.1511                 2.7280
  Dep-P Fr= 1--      0.7386                 0.1597                 0.2106
  Dep-U Fr= 1--      0.8496                 0.2754                 0.3480
 Alpha2 Fr= 1--      0.0002                 0.2888                 0.0360
 Beta2  Fr= 1--      0.1370                 0.8792                 0.1582
 AlphaG Fr= 1--      0.0128                -0.1785                 0.0036
 Gamma2 Fr= 1--      0.0688                -0.5317                -0.5155
 Delta2 Fr= 1--      0.0079                 0.1154                 0.0598
 Raman1 Fr= 1--       3.870                 76.605                 10.912
 ROA1   Fr= 1--       6.862                -47.354                -47.580
 CID1   Fr= 1--       1.773                 -0.618                 -4.360
 Raman2 Fr= 1--       1.644                 10.550                  1.898
 ROA2   Fr= 1--       1.589                -13.685                -12.851
 CID2   Fr= 1--       0.967                 -1.297                 -6.769
 Raman3 Fr= 1--       3.288                 21.100                  3.797
 ROA3   Fr= 1--       6.862                -47.354                -47.580
 CID3   Fr= 1--       2.087                 -2.244                -12.531
 RC180  Fr= 1--       0.699                 -0.449                 -0.304
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.04   0.03  -0.01    -0.09  -0.00   0.01
     2   6    -0.00  -0.00   0.00    -0.01  -0.04   0.00    -0.03  -0.01   0.00
     3   6     0.00   0.00  -0.00     0.04   0.02  -0.01    -0.00   0.03  -0.00
     4   6     0.00  -0.00  -0.00     0.02  -0.07   0.01    -0.12   0.06   0.01
     5   6    -0.00   0.00   0.00    -0.03  -0.01   0.00    -0.07   0.03   0.00
     6   6     0.00   0.00  -0.00     0.02   0.01  -0.00     0.06  -0.01  -0.00
     7   6     0.00   0.00  -0.00     0.07   0.08  -0.01     0.04  -0.04   0.00
     8   6    -0.00   0.00   0.00    -0.07  -0.01   0.00    -0.01  -0.02   0.00
     9   6    -0.00  -0.00   0.00    -0.07  -0.04   0.02    -0.04   0.01   0.00
    10   6     0.00   0.00  -0.00     0.01   0.06  -0.01     0.03   0.01  -0.00
    11   6     0.00  -0.00  -0.00     0.01  -0.01  -0.06     0.03  -0.01  -0.00
    12   8     0.00   0.01   0.06    -0.06   0.04   0.00     0.07  -0.06  -0.00
    13   6    -0.01  -0.01  -0.14     0.01  -0.06   0.01     0.01   0.09  -0.01
    14   1    -0.00  -0.00   0.01    -0.24  -0.22   0.05    -0.04  -0.02   0.01
    15   1    -0.00   0.00   0.01    -0.13   0.10   0.00     0.51  -0.18  -0.03
    16   1     0.00  -0.00  -0.00     0.20  -0.05  -0.01     0.39  -0.14  -0.03
    17   1     0.01  -0.00  -0.00     0.48  -0.07  -0.04     0.42  -0.18  -0.02
    18   1    -0.01  -0.01   0.00    -0.45  -0.31   0.09     0.03   0.01  -0.01
    19   1     0.01  -0.00  -0.00     0.18   0.00  -0.00     0.24  -0.07  -0.02
    20   1     0.00   0.00  -0.00     0.13   0.05  -0.07     0.08   0.02  -0.01
    21   6     0.00  -0.00   0.00     0.02  -0.01   0.03    -0.01  -0.00   0.00
    22   6     0.00   0.00   0.00     0.00   0.05   0.02    -0.00   0.01   0.00
    23   1     0.03   0.03   0.28    -0.09   0.15  -0.01     0.19  -0.28   0.01
    24   1     0.41  -0.50   0.19     0.08  -0.02  -0.03    -0.17   0.05   0.06
    25   1    -0.37   0.53   0.17     0.10  -0.04   0.01    -0.17   0.04  -0.03
    26   1    -0.00  -0.00   0.00    -0.04  -0.04   0.07     0.03   0.01  -0.02
    27   1    -0.00  -0.00  -0.00    -0.04  -0.03  -0.02     0.03   0.02  -0.01
    28   1     0.00   0.00  -0.00     0.00   0.02  -0.09    -0.01  -0.02   0.03
    29   8    -0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.00   0.00  -0.00
    30   8     0.00  -0.00   0.00     0.02  -0.05   0.02     0.00  -0.01   0.00
    31   1    -0.00   0.01  -0.00    -0.07   0.29  -0.06    -0.01   0.03  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1189.3493              1199.0356              1206.7726
 Red. masses --      1.4858                 1.4665                 1.7066
 Frc consts  --      1.2383                 1.2422                 1.4643
 IR Inten    --     69.0476                74.3854                 8.7596
 RamAct Fr= 1--      9.6698                44.9425                 3.3570
  Dep-P Fr= 1--      0.6572                 0.1935                 0.4295
  Dep-U Fr= 1--      0.7931                 0.3242                 0.6009
 Alpha2 Fr= 1--      0.0160                 0.6209                 0.0223
 Beta2  Fr= 1--      1.2782                 2.4287                 0.3362
 AlphaG Fr= 1--     -0.0260                 0.6035                 0.0420
 Gamma2 Fr= 1--     -0.6656                -0.6114                 1.5000
 Delta2 Fr= 1--      1.2709                -3.1682                 0.7872
 Raman1 Fr= 1--      38.679                179.770                 13.428
 ROA1   Fr= 1--     -23.224               -160.075                169.192
 CID1   Fr= 1--      -0.600                 -0.890                 12.600
 Raman2 Fr= 1--      15.339                 29.144                  4.034
 ROA2   Fr= 1--     -26.141                 10.672                 29.703
 CID2   Fr= 1--      -1.704                  0.366                  7.362
 Raman3 Fr= 1--      30.678                 58.288                  8.069
 ROA3   Fr= 1--     -23.224               -160.075                169.192
 CID3   Fr= 1--      -0.757                 -2.746                 20.968
 RC180  Fr= 1--       0.586                 -0.352                  0.202
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03   0.00     0.04   0.01  -0.01     0.03   0.06  -0.01
     2   6    -0.03   0.01   0.00    -0.03  -0.02   0.00    -0.01  -0.03   0.00
     3   6    -0.03   0.02   0.00    -0.00   0.00  -0.00     0.01  -0.02   0.00
     4   6     0.02   0.01  -0.00     0.01   0.01  -0.00    -0.09   0.06   0.00
     5   6     0.03  -0.04   0.00    -0.02   0.01   0.00    -0.06   0.03   0.00
     6   6     0.02   0.02  -0.00     0.03  -0.02  -0.00     0.01  -0.03   0.00
     7   6    -0.03   0.00   0.00    -0.00   0.01  -0.00    -0.01  -0.05   0.01
     8   6     0.04   0.02  -0.01     0.00   0.03  -0.00     0.02  -0.02   0.00
     9   6    -0.02  -0.01   0.02    -0.09  -0.02   0.00     0.05   0.06  -0.01
    10   6     0.00  -0.01  -0.00     0.01  -0.01   0.00     0.03  -0.03  -0.00
    11   6    -0.03  -0.07  -0.04     0.07   0.06   0.02    -0.02  -0.05   0.00
    12   8    -0.02  -0.02   0.00    -0.03   0.02   0.00     0.05   0.04  -0.01
    13   6     0.04   0.03  -0.01    -0.00  -0.03   0.00    -0.10  -0.07   0.02
    14   1    -0.30  -0.20   0.05    -0.30  -0.24   0.05    -0.08  -0.10   0.02
    15   1    -0.15   0.07   0.01    -0.19   0.08   0.01     0.27  -0.12  -0.02
    16   1     0.28  -0.07  -0.02     0.39  -0.16  -0.02     0.09  -0.07  -0.00
    17   1    -0.37   0.13   0.03    -0.15   0.07   0.01    -0.09  -0.03   0.01
    18   1     0.34   0.27  -0.06     0.27   0.26  -0.07     0.20   0.12  -0.03
    19   1    -0.01  -0.01   0.02     0.35  -0.15  -0.05     0.06  -0.04   0.00
    20   1     0.04  -0.04  -0.09     0.17   0.11   0.04    -0.12  -0.10  -0.03
    21   6     0.03   0.03   0.03    -0.03  -0.04  -0.01     0.00   0.03   0.00
    22   6     0.01   0.08   0.03    -0.02  -0.06  -0.02     0.00   0.03   0.01
    23   1     0.13  -0.17   0.00    -0.08   0.12  -0.00    -0.37   0.50  -0.01
    24   1    -0.14   0.03   0.04     0.06  -0.02  -0.02     0.35  -0.06  -0.10
    25   1    -0.15   0.02  -0.02     0.06  -0.01   0.01     0.37  -0.04   0.04
    26   1    -0.05  -0.10   0.13     0.06   0.10  -0.12    -0.00  -0.06   0.05
    27   1    -0.05   0.00  -0.13     0.06  -0.01   0.12    -0.00   0.03  -0.10
    28   1     0.01  -0.02  -0.15    -0.02   0.03   0.13     0.00  -0.04  -0.04
    29   8    -0.02   0.02  -0.03     0.02  -0.02   0.02    -0.01   0.01  -0.02
    30   8     0.03  -0.07   0.03    -0.02   0.05  -0.03     0.01  -0.03   0.02
    31   1    -0.11   0.42  -0.08     0.09  -0.34   0.07    -0.05   0.19  -0.04
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1260.8625              1296.9268              1304.8106
 Red. masses --      1.8117                 1.7765                 2.7008
 Frc consts  --      1.6969                 1.7605                 2.7092
 IR Inten    --     74.2116                21.5172               247.5652
 RamAct Fr= 1--     36.0447                 3.3051                30.3644
  Dep-P Fr= 1--      0.2755                 0.1437                 0.1851
  Dep-U Fr= 1--      0.4320                 0.2513                 0.3123
 Alpha2 Fr= 1--      0.3973                 0.0519                 0.4289
 Beta2  Fr= 1--      2.5952                 0.1384                 1.5806
 AlphaG Fr= 1--      0.1247                 0.0197                -0.0725
 Gamma2 Fr= 1--      3.4086                -0.4908                -0.3713
 Delta2 Fr= 1--     -0.1846                 0.1036                -1.1459
 Raman1 Fr= 1--     144.179                 13.220                121.458
 ROA1   Fr= 1--     321.316                -43.806                -72.315
 CID1   Fr= 1--       2.229                 -3.314                 -0.595
 Raman2 Fr= 1--      31.142                  1.661                 18.967
 ROA2   Fr= 1--      83.283                -12.609                  0.256
 CID2   Fr= 1--       2.674                 -7.590                  0.013
 Raman3 Fr= 1--      62.284                  3.322                 37.934
 ROA3   Fr= 1--     321.316                -43.806                -72.315
 CID3   Fr= 1--       5.159                -13.185                 -1.906
 RC180  Fr= 1--      -0.136                 -0.497                 -0.375
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.02   0.01     0.03   0.05  -0.01     0.22   0.12  -0.03
     2   6    -0.02   0.03  -0.00     0.05  -0.00  -0.00     0.03   0.03  -0.01
     3   6    -0.04   0.04   0.00     0.05   0.04  -0.01     0.02  -0.04   0.00
     4   6    -0.03  -0.02   0.01    -0.07  -0.14   0.02    -0.11   0.11   0.00
     5   6     0.14  -0.10  -0.00    -0.08  -0.12   0.02     0.01   0.04  -0.01
     6   6     0.01   0.05  -0.01    -0.01   0.04  -0.00     0.00  -0.10   0.01
     7   6    -0.02   0.05  -0.00    -0.01   0.06  -0.01    -0.01  -0.03   0.00
     8   6     0.01   0.01  -0.00     0.03  -0.00  -0.00    -0.01  -0.04   0.01
     9   6    -0.08  -0.10   0.03    -0.02   0.02  -0.00     0.00  -0.00   0.00
    10   6    -0.01   0.04  -0.00     0.05   0.05  -0.01     0.02  -0.03  -0.00
    11   6    -0.03   0.02  -0.02     0.01   0.00   0.01    -0.02  -0.01  -0.01
    12   8     0.07   0.00  -0.01    -0.04  -0.01   0.00    -0.16  -0.02   0.02
    13   6    -0.05  -0.00   0.01     0.02  -0.00  -0.00     0.10  -0.02  -0.01
    14   1    -0.25  -0.15   0.04     0.03  -0.02  -0.00    -0.24  -0.20   0.04
    15   1     0.37  -0.13  -0.02     0.46  -0.12  -0.03     0.12  -0.07  -0.01
    16   1    -0.20   0.14   0.01    -0.44   0.20   0.02    -0.39   0.04   0.04
    17   1     0.21  -0.03  -0.02    -0.36   0.19   0.02     0.38  -0.18  -0.02
    18   1     0.18   0.15  -0.03     0.08   0.04  -0.01     0.27   0.18  -0.05
    19   1    -0.44   0.19   0.04     0.51  -0.12  -0.05    -0.33   0.10   0.03
    20   1     0.38   0.20   0.02    -0.01  -0.01  -0.02     0.09   0.04  -0.00
    21   6     0.03  -0.02   0.00    -0.00  -0.01   0.00     0.01   0.00   0.00
    22   6     0.01  -0.01  -0.01    -0.00  -0.01  -0.00     0.00   0.01   0.00
    23   1    -0.12   0.15  -0.00     0.04  -0.04  -0.00     0.09  -0.04  -0.01
    24   1     0.13  -0.02  -0.03    -0.06   0.01   0.01    -0.27   0.04   0.04
    25   1     0.14  -0.01   0.01    -0.06   0.01  -0.00    -0.28   0.04   0.00
    26   1    -0.05   0.03   0.01     0.01   0.02  -0.02    -0.01  -0.01   0.01
    27   1    -0.05  -0.05   0.07     0.02   0.01  -0.01    -0.03  -0.01   0.01
    28   1     0.01   0.05  -0.06    -0.01   0.03   0.00     0.01  -0.01  -0.02
    29   8     0.01  -0.01   0.02    -0.00   0.00  -0.00     0.00  -0.01   0.01
    30   8    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.01
    31   1     0.02  -0.10   0.02    -0.01   0.05  -0.01     0.02  -0.08   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1323.9740              1347.0919              1349.2066
 Red. masses --      1.8706                 1.4375                 2.1221
 Frc consts  --      1.9320                 1.5369                 2.2760
 IR Inten    --      2.3585                 3.7775                27.7952
 RamAct Fr= 1--     10.7694                 8.1816                 1.4936
  Dep-P Fr= 1--      0.3400                 0.7169                 0.5096
  Dep-U Fr= 1--      0.5075                 0.8351                 0.6752
 Alpha2 Fr= 1--      0.0976                 0.0047                 0.0070
 Beta2  Fr= 1--      0.9108                 1.1387                 0.1681
 AlphaG Fr= 1--      0.3382                 0.0453                 0.0447
 Gamma2 Fr= 1--      5.1922                -3.1868                 0.2752
 Delta2 Fr= 1--     -2.2089                 1.4071                 0.3922
 Raman1 Fr= 1--      43.077                 32.726                  5.974
 ROA1   Fr= 1--     427.766               -260.903                 38.975
 CID1   Fr= 1--       9.930                 -7.972                  6.524
 Raman2 Fr= 1--      10.930                 13.665                  2.017
 ROA2   Fr= 1--     142.283                -87.739                  3.468
 CID2   Fr= 1--      13.018                 -6.421                  1.720
 Raman3 Fr= 1--      21.860                 27.329                  4.034
 ROA3   Fr= 1--     427.766               -260.903                 38.975
 CID3   Fr= 1--      19.568                 -9.547                  9.663
 RC180  Fr= 1--       0.015                  0.670                  0.350
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.00    -0.01   0.02  -0.00    -0.02   0.01   0.00
     2   6     0.02  -0.03   0.00    -0.01   0.01  -0.00    -0.01   0.01   0.00
     3   6     0.04   0.01  -0.01    -0.02  -0.01   0.00    -0.01  -0.01   0.00
     4   6    -0.02  -0.02   0.00     0.01   0.01  -0.00     0.01  -0.01  -0.00
     5   6    -0.11   0.03   0.01     0.05  -0.01  -0.01     0.03  -0.01  -0.00
     6   6    -0.03   0.00   0.00     0.02  -0.01  -0.00     0.02   0.00  -0.00
     7   6    -0.01  -0.01   0.00     0.01  -0.00  -0.00     0.02   0.00  -0.00
     8   6     0.00   0.02  -0.01     0.00  -0.01  -0.00    -0.01  -0.01   0.00
     9   6     0.10  -0.03   0.01    -0.04   0.03   0.01    -0.03   0.03   0.00
    10   6     0.03   0.04  -0.01    -0.02  -0.03   0.00    -0.01  -0.02   0.00
    11   6    -0.16  -0.04  -0.08     0.05   0.00  -0.14     0.02  -0.04  -0.03
    12   8    -0.01   0.01   0.00     0.01  -0.01  -0.00     0.01  -0.00  -0.00
    13   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.22   0.12  -0.03    -0.12  -0.07   0.02    -0.07  -0.04   0.01
    15   1    -0.05   0.05   0.00     0.04  -0.04  -0.00     0.02  -0.03   0.00
    16   1     0.21  -0.09  -0.01    -0.12   0.05   0.01    -0.08   0.04   0.00
    17   1    -0.10   0.03   0.01    -0.02   0.01  -0.00    -0.04   0.03   0.00
    18   1     0.04   0.05   0.01    -0.06  -0.06   0.03    -0.05  -0.04   0.01
    19   1     0.02   0.06   0.01     0.07  -0.06   0.01     0.06  -0.04   0.02
    20   1     0.61   0.27   0.40    -0.18  -0.18   0.85    -0.27  -0.14  -0.39
    21   6     0.04   0.01   0.03    -0.04   0.06   0.04    -0.00  -0.02   0.04
    22   6     0.03   0.05   0.01    -0.01   0.00  -0.00     0.01   0.25   0.13
    23   1     0.01  -0.02   0.00     0.00   0.00  -0.00     0.00  -0.01   0.00
    24   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.00   0.00
    25   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
    26   1    -0.12   0.00   0.10     0.08  -0.13   0.10     0.04   0.11  -0.06
    27   1    -0.15  -0.06  -0.07     0.03   0.09  -0.17     0.00  -0.00  -0.15
    28   1     0.03  -0.01  -0.13    -0.02  -0.19   0.01    -0.01   0.03  -0.13
    29   8     0.02  -0.04   0.04     0.02  -0.02   0.02     0.01  -0.06   0.00
    30   8    -0.02   0.01  -0.03    -0.00   0.00  -0.01    -0.03  -0.04  -0.07
    31   1     0.07  -0.32   0.06     0.01  -0.06   0.01     0.17  -0.73   0.11
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1389.2627              1403.3210              1412.6404
 Red. masses --      2.4601                 2.6046                 3.6615
 Frc consts  --      2.7975                 3.0221                 4.3050
 IR Inten    --     14.2226                13.1619                 1.4105
 RamAct Fr= 1--     97.2932                 3.0265               539.1831
  Dep-P Fr= 1--      0.1853                 0.1599                 0.2061
  Dep-U Fr= 1--      0.3127                 0.2758                 0.3418
 Alpha2 Fr= 1--      1.3733                 0.0456                 7.2038
 Beta2  Fr= 1--      5.0706                 0.1391                30.7157
 AlphaG Fr= 1--      0.2461                 0.0009                 1.7218
 Gamma2 Fr= 1--      2.0120                -0.8388                 1.8353
 Delta2 Fr= 1--      4.4585                -0.0490                -3.3041
 Raman1 Fr= 1--     389.173                 12.106               2156.732
 ROA1   Fr= 1--     335.826                -82.097                 70.458
 CID1   Fr= 1--       0.863                 -6.781                  0.033
 Raman2 Fr= 1--      60.847                  1.669                368.589
 ROA2   Fr= 1--      12.620                -19.740                 70.481
 CID2   Fr= 1--       0.207                -11.825                  0.191
 Raman3 Fr= 1--     121.694                  3.339                737.178
 ROA3   Fr= 1--     335.826                -82.097                 70.458
 CID3   Fr= 1--       2.760                -24.590                  0.096
 RC180  Fr= 1--      -0.375                 -0.448                 -0.316
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.19  -0.01    -0.06   0.03   0.00    -0.01  -0.06   0.01
     2   6    -0.06  -0.03   0.01    -0.12  -0.06   0.02     0.06   0.06  -0.01
     3   6    -0.00  -0.10   0.01     0.16  -0.05  -0.01    -0.10  -0.01   0.01
     4   6     0.04  -0.06   0.00    -0.06  -0.02   0.01     0.09   0.25  -0.03
     5   6     0.05   0.12  -0.02    -0.06  -0.04   0.01    -0.07  -0.23   0.03
     6   6     0.13  -0.06  -0.01     0.11   0.06  -0.02    -0.03   0.04  -0.00
     7   6     0.09  -0.03  -0.01     0.09   0.07  -0.02     0.14  -0.08  -0.01
     8   6    -0.02   0.04  -0.00    -0.13  -0.08   0.02    -0.11  -0.05   0.01
     9   6    -0.01   0.07  -0.00    -0.07   0.03   0.00    -0.06   0.18  -0.01
    10   6    -0.06  -0.06   0.01     0.14  -0.05  -0.01     0.08  -0.06  -0.00
    11   6    -0.04  -0.03   0.03     0.04   0.01  -0.01    -0.03  -0.03   0.01
    12   8     0.02  -0.03   0.00    -0.00   0.02  -0.00     0.02  -0.00  -0.00
    13   6     0.01   0.03  -0.00    -0.01   0.01   0.00    -0.01   0.00   0.00
    14   1    -0.26  -0.19   0.05     0.25   0.25  -0.05    -0.13  -0.09   0.02
    15   1     0.10  -0.16   0.01    -0.39   0.16   0.02    -0.19   0.02   0.02
    16   1    -0.21   0.07   0.01    -0.13   0.16  -0.00    -0.32   0.14   0.02
    17   1    -0.47   0.18   0.03     0.01   0.11  -0.01    -0.03  -0.01   0.00
    18   1    -0.32  -0.20   0.05     0.35   0.32  -0.07    -0.16  -0.09   0.03
    19   1    -0.07  -0.07   0.01    -0.40   0.15   0.03     0.22  -0.12  -0.01
    20   1     0.43   0.20  -0.12    -0.07  -0.04   0.04     0.48   0.21  -0.05
    21   6     0.02  -0.01  -0.02    -0.01   0.02  -0.01    -0.00  -0.04   0.04
    22   6     0.00  -0.02  -0.02    -0.00   0.00   0.00     0.00  -0.03  -0.02
    23   1     0.07  -0.09   0.00     0.07  -0.16   0.01    -0.02   0.03  -0.00
    24   1    -0.00  -0.02   0.04     0.10  -0.02  -0.00     0.01  -0.00  -0.00
    25   1    -0.01  -0.03  -0.03     0.10  -0.02  -0.01     0.01  -0.00  -0.00
    26   1    -0.05   0.01   0.01     0.02  -0.09   0.04     0.06   0.22  -0.14
    27   1    -0.05  -0.04   0.06    -0.02   0.00   0.08     0.08   0.01  -0.22
    28   1     0.02   0.01   0.01     0.01  -0.08   0.06    -0.04   0.15  -0.21
    29   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    30   8     0.00   0.01   0.01     0.00  -0.00   0.00     0.00   0.01   0.01
    31   1    -0.01   0.05  -0.01    -0.00   0.01  -0.00    -0.01   0.05  -0.01
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1418.6748              1456.8846              1479.8450
 Red. masses --      1.3078                 3.3322                 1.2094
 Frc consts  --      1.5508                 4.1671                 1.5604
 IR Inten    --      3.3840                 1.5734                 7.1192
 RamAct Fr= 1--     41.6729               165.8857                 4.1295
  Dep-P Fr= 1--      0.1946                 0.2461                 0.6425
  Dep-U Fr= 1--      0.3258                 0.3950                 0.7824
 Alpha2 Fr= 1--      0.5741                 1.9875                 0.0080
 Beta2  Fr= 1--      2.2628                10.9213                 0.5385
 AlphaG Fr= 1--      0.1354                 0.4814                 0.0022
 Gamma2 Fr= 1--     -1.0037                 7.2946                -0.7025
 Delta2 Fr= 1--      0.5095                -0.2491                -0.1203
 Raman1 Fr= 1--     166.692                663.543                 16.518
 ROA1   Fr= 1--     -80.048                692.308                -71.294
 CID1   Fr= 1--      -0.480                  1.043                 -4.316
 Raman2 Fr= 1--      27.154                131.056                  6.462
 ROA2   Fr= 1--     -28.164                177.063                -15.899
 CID2   Fr= 1--      -1.037                  1.351                 -2.460
 Raman3 Fr= 1--      54.307                262.112                 12.923
 ROA3   Fr= 1--     -80.048                692.308                -71.294
 CID3   Fr= 1--      -1.474                  2.641                 -5.517
 RC180  Fr= 1--      -0.348                 -0.210                  0.565
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.00     0.04  -0.15   0.01    -0.01  -0.01   0.00
     2   6     0.03   0.02  -0.00    -0.12   0.04   0.01    -0.05  -0.03   0.01
     3   6    -0.03   0.00   0.00     0.13   0.03  -0.02    -0.01   0.01   0.00
     4   6     0.03   0.04  -0.01    -0.17   0.01   0.02    -0.01  -0.01   0.00
     5   6    -0.01  -0.04   0.00     0.15  -0.01  -0.01     0.02  -0.00  -0.00
     6   6    -0.02   0.00   0.00     0.11   0.00  -0.01     0.01   0.03  -0.00
     7   6     0.02  -0.01  -0.00    -0.12  -0.01   0.01     0.03  -0.01  -0.00
     8   6    -0.02  -0.00   0.00     0.13  -0.04  -0.01    -0.00   0.01  -0.00
     9   6    -0.01   0.02  -0.00    -0.02   0.17  -0.01    -0.03   0.01   0.00
    10   6     0.01   0.00  -0.00    -0.13  -0.03   0.02     0.01  -0.02   0.00
    11   6    -0.00  -0.01  -0.00    -0.03  -0.05   0.01     0.00  -0.00  -0.00
    12   8     0.01  -0.00  -0.00    -0.02   0.04  -0.00     0.03  -0.01  -0.00
    13   6    -0.00   0.00   0.00    -0.01  -0.01   0.00     0.07  -0.07  -0.00
    14   1    -0.05  -0.04   0.01     0.04   0.19  -0.02     0.16   0.13  -0.03
    15   1     0.02  -0.02  -0.00    -0.31   0.23   0.01     0.04  -0.01  -0.00
    16   1    -0.04   0.01   0.00    -0.20   0.13   0.01     0.09   0.00  -0.01
    17   1     0.00  -0.00  -0.00     0.19  -0.14  -0.00    -0.08   0.04   0.00
    18   1    -0.03  -0.01   0.00    -0.07  -0.23   0.03    -0.06  -0.04   0.01
    19   1     0.10  -0.04  -0.01     0.42  -0.25  -0.02    -0.06   0.01   0.01
    20   1     0.02   0.00  -0.06     0.38   0.14  -0.06     0.03   0.01  -0.01
    21   6     0.03   0.07  -0.11     0.01   0.00  -0.02    -0.00   0.00  -0.00
    22   6     0.00   0.04   0.02     0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   1    -0.01   0.02  -0.00    -0.00  -0.04   0.00    -0.23   0.52  -0.03
    24   1    -0.01   0.00   0.00     0.07   0.02  -0.04    -0.44   0.27  -0.15
    25   1    -0.01   0.00   0.00     0.07   0.03   0.03    -0.41   0.30   0.18
    26   1    -0.23  -0.43   0.30    -0.07  -0.02   0.03     0.04  -0.02  -0.00
    27   1    -0.23  -0.08   0.51    -0.04  -0.02   0.03     0.01   0.00   0.03
    28   1     0.10  -0.26   0.47     0.02  -0.01   0.07    -0.00  -0.01  -0.03
    29   8     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   8    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   1     0.02  -0.08   0.01     0.00  -0.01   0.00    -0.00  -0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1494.9600              1495.6971              1502.6655
 Red. masses --      1.0488                 1.0467                 1.0524
 Frc consts  --      1.3810                 1.3796                 1.4001
 IR Inten    --      9.7971                 7.7628                12.0344
 RamAct Fr= 1--      5.9782                12.0274                 6.6191
  Dep-P Fr= 1--      0.7451                 0.7498                 0.5612
  Dep-U Fr= 1--      0.8539                 0.8570                 0.7189
 Alpha2 Fr= 1--      0.0005                 0.0000                 0.0237
 Beta2  Fr= 1--      0.8508                 1.7180                 0.7931
 AlphaG Fr= 1--      0.0069                 0.0026                 0.2114
 Gamma2 Fr= 1--      0.7506                 0.3011                 2.7123
 Delta2 Fr= 1--     -0.6161                 0.2250                 1.8128
 Raman1 Fr= 1--      23.913                 48.110                 26.477
 ROA1   Fr= 1--      52.345                 36.105                318.395
 CID1   Fr= 1--       2.189                  0.750                 12.026
 Raman2 Fr= 1--      10.210                 20.616                  9.518
 ROA2   Fr= 1--      22.943                  5.426                 50.594
 CID2   Fr= 1--       2.247                  0.263                  5.316
 Raman3 Fr= 1--      20.420                 41.231                 19.035
 ROA3   Fr= 1--      52.345                 36.105                318.395
 CID3   Fr= 1--       2.563                  0.876                 16.727
 RC180  Fr= 1--       0.708                  0.714                  0.438
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.01   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.01   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6     0.00  -0.01   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     9   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    10   6     0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.02   0.01   0.00     0.00  -0.00  -0.00    -0.02  -0.02  -0.02
    12   8    -0.01   0.00   0.00    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
    13   6    -0.01   0.00  -0.00    -0.01  -0.01  -0.06    -0.00  -0.00   0.00
    14   1     0.01   0.00  -0.00    -0.00  -0.00  -0.02     0.00   0.00  -0.00
    15   1     0.01   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    16   1     0.02  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.02   0.00   0.00     0.00   0.00   0.00    -0.01   0.00   0.00
    18   1    -0.03  -0.03   0.01     0.00   0.00   0.00    -0.01  -0.00   0.00
    19   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.01   0.02
    20   1     0.05   0.05  -0.05    -0.00  -0.00   0.00     0.02  -0.01   0.05
    21   6    -0.04   0.02   0.01     0.00  -0.00  -0.00    -0.03  -0.04  -0.02
    22   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.02   0.01
    23   1     0.02  -0.04   0.01     0.07   0.07   0.71     0.00  -0.01  -0.00
    24   1     0.03  -0.01   0.01    -0.47  -0.05   0.13     0.00   0.01  -0.01
    25   1     0.04  -0.01  -0.01     0.48   0.06   0.01     0.00   0.01   0.00
    26   1     0.60  -0.35  -0.06    -0.01   0.01   0.00    -0.15  -0.30   0.20
    27   1     0.13   0.06   0.46    -0.00  -0.00  -0.01     0.61   0.24   0.07
    28   1    -0.05  -0.12  -0.49     0.00   0.00   0.01    -0.06   0.62   0.13
    29   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.00  -0.02   0.00    -0.00   0.00  -0.00     0.00  -0.02   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.9339              1524.3811              1547.5136
 Red. masses --      1.0601                 2.3928                 3.5057
 Frc consts  --      1.4184                 3.2760                 4.9464
 IR Inten    --     47.9664                21.1815                75.5772
 RamAct Fr= 1--     20.0976               132.3939                10.7880
  Dep-P Fr= 1--      0.4367                 0.2547                 0.2233
  Dep-U Fr= 1--      0.6079                 0.4059                 0.3650
 Alpha2 Fr= 1--      0.1299                 1.5487                 0.1376
 Beta2  Fr= 1--      2.0363                 8.9574                 0.6563
 AlphaG Fr= 1--      0.0213                 0.4872                 0.0130
 Gamma2 Fr= 1--      0.8632                 1.9436                -1.0517
 Delta2 Fr= 1--      0.1604                -1.1506                -0.1600
 Raman1 Fr= 1--      80.391                529.576                 43.152
 ROA1   Fr= 1--      88.001                149.765               -106.087
 CID1   Fr= 1--       1.095                  0.283                 -2.458
 Raman2 Fr= 1--      24.435                107.489                  7.876
 ROA2   Fr= 1--      19.433                 55.851                -23.962
 CID2   Fr= 1--       0.795                  0.520                 -3.042
 Raman3 Fr= 1--      48.871                214.977                 15.752
 ROA3   Fr= 1--      88.001                149.765               -106.087
 CID3   Fr= 1--       1.801                  0.697                 -6.735
 RC180  Fr= 1--       0.216                 -0.188                 -0.270
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.00     0.14  -0.02  -0.01     0.08   0.17  -0.03
     2   6     0.00  -0.00   0.00    -0.05  -0.06   0.01    -0.06  -0.16   0.02
     3   6    -0.01   0.00   0.00    -0.03   0.05  -0.00    -0.10  -0.03   0.01
     4   6    -0.00   0.00  -0.00    -0.13   0.04   0.01     0.12  -0.06  -0.01
     5   6     0.00  -0.00  -0.00     0.08  -0.02  -0.01     0.14  -0.06  -0.01
     6   6    -0.01   0.00   0.00    -0.08   0.05   0.00    -0.14   0.12   0.00
     7   6     0.01  -0.01  -0.00     0.11  -0.09  -0.00    -0.09   0.10  -0.00
     8   6     0.00   0.01  -0.00     0.06   0.10  -0.02    -0.05  -0.13   0.02
     9   6    -0.01  -0.01   0.00    -0.13  -0.02   0.01     0.01   0.18  -0.02
    10   6     0.00  -0.00  -0.00     0.07  -0.04  -0.00    -0.05  -0.06   0.01
    11   6     0.00   0.00  -0.00     0.03   0.00  -0.00    -0.01  -0.03   0.00
    12   8    -0.02  -0.01   0.00    -0.05   0.01   0.00    -0.03  -0.02   0.00
    13   6    -0.03  -0.04   0.01    -0.02   0.03  -0.00    -0.01   0.02  -0.00
    14   1    -0.00  -0.01   0.00     0.30   0.21  -0.05     0.39   0.18  -0.06
    15   1     0.04  -0.02  -0.00     0.15  -0.01  -0.01     0.24  -0.17  -0.01
    16   1     0.02  -0.01  -0.00     0.28  -0.08  -0.02     0.45  -0.10  -0.04
    17   1    -0.04   0.01   0.00    -0.41   0.10   0.03     0.31  -0.05  -0.03
    18   1    -0.03  -0.02   0.01    -0.38  -0.25   0.06     0.25   0.10  -0.04
    19   1    -0.02   0.01   0.00    -0.26   0.08   0.02     0.14  -0.14  -0.00
    20   1    -0.01  -0.00   0.00     0.01  -0.00   0.00     0.18   0.06  -0.02
    21   6     0.00  -0.00   0.00     0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    22   6    -0.00  -0.00  -0.00    -0.00   0.01  -0.00    -0.00  -0.00  -0.00
    23   1     0.14  -0.36   0.03     0.05  -0.13   0.01     0.06  -0.12   0.00
    24   1     0.17   0.44  -0.44     0.13  -0.18   0.13     0.07  -0.06   0.04
    25   1     0.25   0.52   0.30     0.10  -0.20  -0.12     0.06  -0.07  -0.05
    26   1    -0.01   0.01  -0.00    -0.08   0.04   0.01    -0.00  -0.00  -0.00
    27   1    -0.01  -0.01  -0.01    -0.04  -0.01  -0.05     0.01   0.00  -0.00
    28   1     0.00  -0.01   0.01     0.01  -0.01   0.08    -0.00   0.01   0.00
    29   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    31   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1609.1984              1652.2589              1676.2956
 Red. masses --      6.8291                 5.6802                 6.3361
 Frc consts  --     10.4192                 9.1364                10.4900
 IR Inten    --      5.9389                99.5114                67.2266
 RamAct Fr= 1--     75.3506                 4.3062               278.0806
  Dep-P Fr= 1--      0.5622                 0.6101                 0.3665
  Dep-U Fr= 1--      0.7197                 0.7579                 0.5364
 Alpha2 Fr= 1--      0.2684                 0.0111                 2.3121
 Beta2  Fr= 1--      9.0386                 0.5439                24.8626
 AlphaG Fr= 1--      0.1884                -0.0476                 2.0662
 Gamma2 Fr= 1--      2.7016                -0.0953                18.7608
 Delta2 Fr= 1--     -2.5333                -0.7131                -1.9153
 Raman1 Fr= 1--     301.403                 17.225               1112.322
 ROA1   Fr= 1--     178.285                -31.966               1739.743
 CID1   Fr= 1--       0.592                 -1.856                  1.564
 Raman2 Fr= 1--     108.464                  6.527                298.351
 ROA2   Fr= 1--      85.104                  3.419                465.581
 CID2   Fr= 1--       0.785                  0.524                  1.561
 Raman3 Fr= 1--     216.927                 13.054                596.702
 ROA3   Fr= 1--     178.285                -31.966               1739.743
 CID3   Fr= 1--       0.822                 -2.449                  2.916
 RC180  Fr= 1--       0.439                  0.516                  0.073
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.24   0.02    -0.20   0.13   0.01    -0.15   0.11   0.00
     2   6     0.20   0.17  -0.04     0.20   0.03  -0.02     0.17   0.01  -0.02
     3   6    -0.06   0.16  -0.01     0.20  -0.13  -0.01     0.23  -0.11  -0.01
     4   6    -0.08  -0.27   0.04    -0.01   0.00   0.00    -0.25   0.07   0.02
     5   6     0.07   0.27  -0.03    -0.03  -0.02   0.01     0.25  -0.09  -0.02
     6   6    -0.15  -0.09   0.02    -0.20   0.02   0.02    -0.24   0.06   0.02
     7   6     0.14   0.09  -0.02    -0.23   0.01   0.02     0.22  -0.05  -0.02
     8   6    -0.17  -0.15   0.03     0.24   0.06  -0.03    -0.16  -0.03   0.02
     9   6    -0.05   0.24  -0.02    -0.20   0.11   0.01     0.13  -0.08  -0.00
    10   6     0.10  -0.17   0.01     0.21  -0.12  -0.01    -0.21   0.10   0.01
    11   6     0.00  -0.02   0.00     0.02  -0.02  -0.00    -0.01   0.01   0.00
    12   8     0.00   0.02  -0.00     0.02  -0.02  -0.00     0.01  -0.01   0.00
    13   6    -0.01  -0.01   0.00     0.02  -0.00  -0.00     0.02  -0.01  -0.00
    14   1    -0.25  -0.19   0.04    -0.16  -0.27   0.04    -0.08  -0.19   0.03
    15   1     0.23   0.05  -0.03    -0.29   0.05   0.02    -0.31   0.10   0.02
    16   1     0.11  -0.20   0.01     0.17  -0.13  -0.00     0.29  -0.15  -0.02
    17   1    -0.13   0.20  -0.01     0.18  -0.17  -0.00    -0.25   0.14   0.01
    18   1     0.18   0.15  -0.03    -0.19  -0.31   0.05     0.09   0.18  -0.03
    19   1    -0.33  -0.02   0.04    -0.33   0.07   0.03     0.33  -0.10  -0.03
    20   1     0.19   0.06  -0.01     0.12   0.03  -0.01    -0.08  -0.02   0.01
    21   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    22   6    -0.00  -0.00  -0.00    -0.01   0.02  -0.01     0.01  -0.01   0.01
    23   1    -0.03   0.03   0.00     0.01   0.03  -0.00     0.01   0.02  -0.00
    24   1     0.01   0.01  -0.02    -0.06   0.05  -0.04    -0.05   0.04  -0.03
    25   1     0.01   0.01   0.01    -0.05   0.06   0.04    -0.04   0.05   0.03
    26   1    -0.02   0.01  -0.00    -0.03  -0.00   0.01     0.02   0.00  -0.01
    27   1     0.02   0.01  -0.03    -0.00   0.00  -0.01    -0.01  -0.00   0.01
    28   1    -0.00   0.02   0.02     0.01  -0.00   0.03    -0.00  -0.01  -0.02
    29   8     0.00  -0.00   0.00     0.01  -0.01   0.01    -0.00   0.01  -0.01
    30   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    31   1    -0.00   0.01  -0.00    -0.00   0.01  -0.00     0.00  -0.01   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1808.2370              3008.3383              3045.5832
 Red. masses --      9.5572                 1.0348                 1.0364
 Frc consts  --     18.4116                 5.5175                 5.6638
 IR Inten    --    361.2354                68.5769                29.1135
 RamAct Fr= 1--     21.7489               233.8623               264.4674
  Dep-P Fr= 1--      0.2090                 0.0345                 0.0825
  Dep-U Fr= 1--      0.3457                 0.0666                 0.1525
 Alpha2 Fr= 1--      0.2884                 4.7930                 4.8315
 Beta2  Fr= 1--      1.2533                 2.5965                 6.7214
 AlphaG Fr= 1--      0.0854                 0.4310                -1.3449
 Gamma2 Fr= 1--      2.3533                 0.6889                -0.3583
 Delta2 Fr= 1--     -4.0061                -0.9837                 0.4382
 Raman1 Fr= 1--      86.996                935.449               1057.870
 ROA1   Fr= 1--      97.724                 34.656                -20.370
 CID1   Fr= 1--       1.123                  0.037                 -0.019
 Raman2 Fr= 1--      15.039                 31.158                 80.657
 ROA2   Fr= 1--      88.528                 24.403                -12.104
 CID2   Fr= 1--       5.887                  0.783                 -0.150
 Raman3 Fr= 1--      30.078                 62.316                161.314
 ROA3   Fr= 1--      97.724                 34.656                -20.370
 CID3   Fr= 1--       3.249                  0.556                 -0.126
 RC180  Fr= 1--      -0.309                 -0.867                 -0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.01   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     8   6     0.01   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     9   6    -0.03   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   6     0.02  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.03   0.01  -0.07    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.01   0.05  -0.00     0.00  -0.00  -0.00
    14   1    -0.00  -0.00   0.00    -0.02   0.02  -0.00     0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1     0.01  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1    -0.01  -0.02   0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1    -0.04   0.01   0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
    20   1     0.13   0.03   0.22     0.00  -0.00  -0.00    -0.01   0.02   0.00
    21   6    -0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.03  -0.01   0.04
    22   6     0.33  -0.31   0.54     0.00   0.00   0.00    -0.00  -0.00  -0.00
    23   1    -0.00   0.00   0.00     0.26   0.13  -0.04    -0.00  -0.00   0.00
    24   1     0.00  -0.00   0.00    -0.12  -0.42  -0.51     0.00   0.00   0.00
    25   1    -0.00  -0.00  -0.00    -0.01  -0.32   0.60     0.00   0.00  -0.00
    26   1    -0.02  -0.02   0.00    -0.00  -0.00  -0.00    -0.21  -0.27  -0.46
    27   1    -0.01  -0.00   0.00    -0.00   0.00   0.00    -0.17   0.39   0.03
    28   1     0.00  -0.01   0.03     0.00   0.00  -0.00     0.69   0.05  -0.05
    29   8    -0.20   0.22  -0.33    -0.00   0.00  -0.00     0.00   0.00   0.00
    30   8    -0.03   0.03  -0.04    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    31   1     0.11  -0.46   0.08    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3064.1576              3083.8909              3106.9101
 Red. masses --      1.1058                 1.0851                 1.1020
 Frc consts  --      6.1174                 6.0800                 6.2673
 IR Inten    --     36.5745                 4.6656                28.2040
 RamAct Fr= 1--     73.3560                69.5010               129.2798
  Dep-P Fr= 1--      0.7500                 0.2210                 0.6890
  Dep-U Fr= 1--      0.8571                 0.3620                 0.8159
 Alpha2 Fr= 1--      0.0001                 0.8921                 0.1383
 Beta2  Fr= 1--     10.4791                 4.1937                17.5794
 AlphaG Fr= 1--      0.0286                 0.2795                 0.3191
 Gamma2 Fr= 1--      1.7823                -3.4055                -4.3132
 Delta2 Fr= 1--      1.8138                -0.8236                 1.4210
 Raman1 Fr= 1--     293.424                278.004                517.119
 ROA1   Fr= 1--     229.144               -353.281               -368.597
 CID1   Fr= 1--       0.781                 -1.271                 -0.713
 Raman2 Fr= 1--     125.749                 50.324                210.953
 ROA2   Fr= 1--      28.266                -75.144               -114.886
 CID2   Fr= 1--       0.225                 -1.493                 -0.545
 Raman3 Fr= 1--     251.498                100.649                421.907
 ROA3   Fr= 1--     229.144               -353.281               -368.597
 CID3   Fr= 1--       0.911                 -3.510                 -0.874
 RC180  Fr= 1--       0.714                 -0.276                  0.632
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     9   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   6     0.00  -0.00  -0.00     0.03  -0.07  -0.01    -0.00   0.00  -0.00
    12   8     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.01  -0.01  -0.09     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.00     0.02  -0.02  -0.00    -0.00   0.00  -0.00
    19   1     0.00   0.00  -0.00     0.00   0.01  -0.00     0.00   0.00  -0.00
    20   1    -0.00   0.00   0.00    -0.40   0.88   0.07     0.03  -0.06  -0.00
    21   6     0.00   0.00  -0.00    -0.01   0.02   0.00    -0.08  -0.02  -0.04
    22   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   1    -0.00  -0.00  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1     0.14   0.46   0.52    -0.00  -0.00  -0.00     0.00   0.00   0.00
    25   1    -0.03  -0.34   0.61     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1     0.00   0.00   0.00    -0.01  -0.01  -0.02     0.24   0.33   0.57
    27   1     0.00  -0.00  -0.00     0.08  -0.19  -0.01     0.05  -0.16  -0.02
    28   1    -0.00  -0.00   0.00     0.07   0.01  -0.00     0.68   0.05  -0.06
    29   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    30   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    31   1     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3131.1859              3134.4976              3165.8144
 Red. masses --      1.1003                 1.0988                 1.0863
 Frc consts  --      6.3562                 6.3604                 6.4146
 IR Inten    --     15.2651                25.1774                 3.9294
 RamAct Fr= 1--     27.9696               191.1701                64.2601
  Dep-P Fr= 1--      0.5250                 0.4269                 0.7263
  Dep-U Fr= 1--      0.6885                 0.5984                 0.8415
 Alpha2 Fr= 1--      0.1223                 1.2824                 0.0261
 Beta2  Fr= 1--      3.2096                19.0660                 9.0122
 AlphaG Fr= 1--     -0.1907                -0.1474                -0.0497
 Gamma2 Fr= 1--     -1.0533                -0.4473                -3.2515
 Delta2 Fr= 1--     -1.0849                -0.7344                 1.5524
 Raman1 Fr= 1--     111.878                764.681                257.040
 ROA1   Fr= 1--    -135.838                -66.444               -262.463
 CID1   Fr= 1--      -1.214                 -0.087                 -1.021
 Raman2 Fr= 1--      38.515                228.791                108.146
 ROA2   Fr= 1--     -16.600                 -4.861                -90.454
 CID2   Fr= 1--      -0.431                 -0.021                 -0.836
 Raman3 Fr= 1--      77.030                457.583                216.293
 ROA3   Fr= 1--    -135.838                -66.444               -262.463
 CID3   Fr= 1--      -1.763                 -0.145                 -1.213
 RC180  Fr= 1--       0.377                  0.197                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.06   0.01
     8   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.04   0.05  -0.00
     9   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    10   6     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   6     0.01  -0.02  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    13   6     0.00   0.00  -0.00    -0.07  -0.05   0.01    -0.00  -0.00   0.00
    14   1    -0.00   0.00   0.00     0.02  -0.02   0.00     0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.05   0.01
    16   1     0.00   0.00  -0.00     0.00   0.01  -0.00     0.00   0.00  -0.00
    17   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.24   0.65  -0.09
    18   1     0.01  -0.02   0.00     0.00  -0.00   0.00     0.45  -0.54   0.02
    19   1    -0.02  -0.06   0.01     0.00  -0.00   0.00     0.01   0.02  -0.00
    20   1    -0.08   0.19   0.01    -0.00   0.00   0.00     0.01  -0.03  -0.00
    21   6     0.03  -0.08  -0.03     0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    23   1    -0.01  -0.00   0.00     0.86   0.41  -0.13     0.00   0.00  -0.00
    24   1    -0.00  -0.00  -0.00     0.03   0.11   0.15     0.00   0.00   0.00
    25   1     0.00  -0.00   0.00    -0.01   0.08  -0.17    -0.00   0.00  -0.00
    26   1     0.15   0.18   0.33     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   1    -0.34   0.79   0.03    -0.00   0.01   0.00     0.00  -0.01  -0.00
    28   1    -0.19  -0.03   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    29   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3170.2965              3179.4823              3182.8696
 Red. masses --      1.0890                 1.0894                 1.0944
 Frc consts  --      6.4490                 6.4887                 6.5322
 IR Inten    --      5.3200                11.0683                11.4679
 RamAct Fr= 1--     43.3571                55.4356               128.4371
  Dep-P Fr= 1--      0.4767                 0.4192                 0.1984
  Dep-U Fr= 1--      0.6456                 0.5907                 0.3311
 Alpha2 Fr= 1--      0.2378                 0.3829                 1.7517
 Beta2  Fr= 1--      4.6654                 5.4579                 7.0872
 AlphaG Fr= 1--      0.0499                 0.2137                -0.4754
 Gamma2 Fr= 1--      0.9594                 4.4303                -3.3387
 Delta2 Fr= 1--     -0.3184                 1.5783                -0.9608
 Raman1 Fr= 1--     173.428                221.743                513.748
 ROA1   Fr= 1--      81.911                475.813               -351.262
 CID1   Fr= 1--       0.472                  2.146                 -0.684
 Raman2 Fr= 1--      55.985                 65.494                 85.046
 ROA2   Fr= 1--      25.572                 93.700                -72.443
 CID2   Fr= 1--       0.457                  1.431                 -0.852
 Raman3 Fr= 1--     111.970                130.989                170.092
 ROA3   Fr= 1--      81.911                475.813               -351.262
 CID3   Fr= 1--       0.732                  3.632                 -2.065
 RC180  Fr= 1--       0.291                  0.181                 -0.338
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.01   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.02  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.03  -0.08   0.01    -0.01  -0.01   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.02  -0.05   0.01
     8   6    -0.00   0.00  -0.00     0.01  -0.01   0.00     0.04  -0.04   0.00
     9   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    10   6     0.01   0.01  -0.00    -0.03  -0.08   0.01     0.00   0.02  -0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.11  -0.15   0.00     0.03  -0.03   0.00    -0.00   0.01  -0.00
    15   1     0.02   0.05  -0.01     0.00   0.01  -0.00    -0.11  -0.29   0.04
    16   1     0.33   0.89  -0.12     0.06   0.17  -0.02    -0.00  -0.01   0.00
    17   1    -0.00  -0.00   0.00     0.04   0.11  -0.02     0.23   0.60  -0.09
    18   1     0.01  -0.01   0.00    -0.10   0.12  -0.00    -0.42   0.51  -0.01
    19   1    -0.06  -0.17   0.02     0.33   0.89  -0.11    -0.06  -0.17   0.02
    20   1     0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.01   0.02   0.00
    21   6    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
    22   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    23   1    -0.01  -0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00     0.01   0.01   0.01    -0.00  -0.00  -0.00
    27   1     0.01  -0.01  -0.00    -0.02   0.06   0.00     0.00  -0.00  -0.00
    28   1     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    29   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   8     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3186.9783              3214.7815              3728.7439
 Red. masses --      1.0905                 1.0911                 1.0641
 Frc consts  --      6.5260                 6.6438                 8.7165
 IR Inten    --      7.7096                 7.8298                69.0306
 RamAct Fr= 1--    189.1157               134.6453               113.2955
  Dep-P Fr= 1--      0.2182                 0.2393                 0.2454
  Dep-U Fr= 1--      0.3582                 0.3861                 0.3941
 Alpha2 Fr= 1--      2.4461                 1.6442                 1.3600
 Beta2  Fr= 1--     11.2917                 8.6653                 7.4424
 AlphaG Fr= 1--     -0.4562                 0.2409                 1.0416
 Gamma2 Fr= 1--     -1.6274                 1.8339                11.4139
 Delta2 Fr= 1--     -0.5659                 0.2743                -2.2076
 Raman1 Fr= 1--     756.463                538.581                453.182
 ROA1   Fr= 1--    -174.337                184.837               1025.090
 CID1   Fr= 1--      -0.230                  0.343                  2.262
 Raman2 Fr= 1--     135.501                103.984                 89.309
 ROA2   Fr= 1--     -34.529                 41.820                291.594
 CID2   Fr= 1--      -0.255                  0.402                  3.265
 Raman3 Fr= 1--     271.002                207.967                178.618
 ROA3   Fr= 1--    -174.337                184.837               1025.090
 CID3   Fr= 1--      -0.643                  0.889                  5.739
 RC180  Fr= 1--      -0.284                 -0.228                 -0.212
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.05  -0.07   0.00     0.00   0.00  -0.00
     3   6    -0.03  -0.08   0.01    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00  -0.00    -0.01  -0.02   0.00     0.00   0.00  -0.00
     7   6    -0.01  -0.02   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.01  -0.01   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    11   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    12   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1    -0.00   0.00   0.00    -0.61   0.76  -0.01     0.00  -0.00   0.00
    15   1     0.34   0.87  -0.12     0.00   0.01  -0.00     0.00   0.00  -0.00
    16   1    -0.02  -0.05   0.01     0.07   0.17  -0.02    -0.00  -0.00   0.00
    17   1     0.08   0.23  -0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1    -0.11   0.14  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1    -0.02  -0.05   0.01     0.00   0.01  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    22   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   1    -0.00  -0.00   0.00     0.01   0.01  -0.00     0.00   0.00  -0.00
    24   1    -0.00   0.00   0.00     0.01   0.01   0.02    -0.00  -0.00  -0.00
    25   1    -0.00   0.00  -0.00     0.00   0.01  -0.02     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    28   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    29   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    30   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.02  -0.02  -0.05
    31   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.36   0.31   0.88

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  8 and mass  15.99491
 Atom    30 has atomic number  8 and mass  15.99491
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1413.160478595.740719106.36968
           X            0.99993  -0.00576  -0.01068
           Y            0.00565   0.99993  -0.00995
           Z            0.01074   0.00989   0.99989
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06129     0.01008     0.00951
 Rotational constants (GHZ):           1.27710     0.20996     0.19818
 Zero-point vibrational energy     658224.9 (Joules/Mol)
                                  157.31952 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     19.83    56.16    70.94   107.33   166.62
          (Kelvin)            200.39   262.35   281.43   332.49   334.59
                              357.15   390.95   438.01   504.56   566.93
                              600.01   608.45   673.54   695.19   769.98
                              801.93   831.46   858.12   888.37   915.95
                              985.55   995.54  1090.27  1120.35  1150.92
                             1172.59  1176.94  1211.72  1225.38  1289.66
                             1319.38  1348.13  1366.16  1384.07  1410.83
                             1457.92  1531.50  1541.18  1591.44  1668.92
                             1687.19  1688.63  1708.79  1711.21  1725.14
                             1736.28  1814.10  1865.99  1877.33  1904.90
                             1938.16  1941.21  1998.84  2019.07  2032.47
                             2041.16  2096.13  2129.17  2150.91  2151.97
                             2162.00  2168.14  2193.24  2226.53  2315.28
                             2377.23  2411.82  2601.65  4328.33  4381.91
                             4408.64  4437.03  4470.15  4505.08  4509.84
                             4554.90  4561.35  4574.57  4579.44  4585.35
                             4625.35  5364.83
 
 Zero-point correction=                           0.250705 (Hartree/Particle)
 Thermal correction to Energy=                    0.266022
 Thermal correction to Enthalpy=                  0.266966
 Thermal correction to Gibbs Free Energy=         0.206297
 Sum of electronic and zero-point Energies=           -767.722578
 Sum of electronic and thermal Energies=              -767.707261
 Sum of electronic and thermal Enthalpies=            -767.706317
 Sum of electronic and thermal Free Energies=         -767.766985
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.931             58.703            127.688
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.070
 Vibrational            165.154             52.741             52.416
 Vibration     1          0.593              1.986              7.374
 Vibration     2          0.594              1.981              5.308
 Vibration     3          0.595              1.978              4.845
 Vibration     4          0.599              1.966              4.028
 Vibration     5          0.608              1.936              3.169
 Vibration     6          0.615              1.914              2.814
 Vibration     7          0.630              1.864              2.304
 Vibration     8          0.636              1.846              2.174
 Vibration     9          0.653              1.793              1.870
 Vibration    10          0.653              1.791              1.859
 Vibration    11          0.662              1.766              1.743
 Vibration    12          0.675              1.725              1.585
 Vibration    13          0.695              1.665              1.392
 Vibration    14          0.728              1.574              1.163
 Vibration    15          0.761              1.483              0.985
 Vibration    16          0.780              1.433              0.902
 Vibration    17          0.785              1.420              0.882
 Vibration    18          0.825              1.321              0.743
 Vibration    19          0.839              1.287              0.702
 Vibration    20          0.890              1.172              0.576
 Vibration    21          0.913              1.124              0.529
 Vibration    22          0.934              1.079              0.489
 Vibration    23          0.954              1.039              0.456
 Vibration    24          0.977              0.995              0.421
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.128798D-94        -94.890089       -218.492505
 Total V=0       0.266640D+21         20.425925         47.032431
 Vib (Bot)       0.249369-109       -109.603158       -252.370597
 Vib (Bot)    1  0.150337D+02          1.177067          2.710297
 Vib (Bot)    2  0.530147D+01          0.724397          1.667985
 Vib (Bot)    3  0.419277D+01          0.622501          1.433362
 Vib (Bot)    4  0.276301D+01          0.441382          1.016320
 Vib (Bot)    5  0.176635D+01          0.247078          0.568917
 Vib (Bot)    6  0.146018D+01          0.164406          0.378558
 Vib (Bot)    7  0.110062D+01          0.041636          0.095870
 Vib (Bot)    8  0.102106D+01          0.009052          0.020843
 Vib (Bot)    9  0.851884D+00         -0.069620         -0.160305
 Vib (Bot)   10  0.845994D+00         -0.072633         -0.167243
 Vib (Bot)   11  0.786894D+00         -0.104084         -0.239662
 Vib (Bot)   12  0.710607D+00         -0.148371         -0.341636
 Vib (Bot)   13  0.623134D+00         -0.205419         -0.472994
 Vib (Bot)   14  0.525876D+00         -0.279117         -0.642690
 Vib (Bot)   15  0.454303D+00         -0.342654         -0.788990
 Vib (Bot)   16  0.422007D+00         -0.374680         -0.862733
 Vib (Bot)   17  0.414287D+00         -0.382699         -0.881196
 Vib (Bot)   18  0.360874D+00         -0.442644         -1.019226
 Vib (Bot)   19  0.345193D+00         -0.461939         -1.063653
 Vib (Bot)   20  0.297404D+00         -0.526653         -1.212664
 Vib (Bot)   21  0.279563D+00         -0.553520         -1.274527
 Vib (Bot)   22  0.264239D+00         -0.578003         -1.330900
 Vib (Bot)   23  0.251279D+00         -0.599845         -1.381193
 Vib (Bot)   24  0.237484D+00         -0.624365         -1.437653
 Vib (V=0)       0.516246D+06          5.712857         13.154339
 Vib (V=0)    1  0.155421D+02          1.191508          2.743549
 Vib (V=0)    2  0.582500D+01          0.765296          1.762159
 Vib (V=0)    3  0.472248D+01          0.674170          1.552334
 Vib (V=0)    4  0.330788D+01          0.519550          1.196308
 Vib (V=0)    5  0.233576D+01          0.368428          0.848336
 Vib (V=0)    6  0.204341D+01          0.310356          0.714621
 Vib (V=0)    7  0.170887D+01          0.232708          0.535830
 Vib (V=0)    8  0.163691D+01          0.214025          0.492811
 Vib (V=0)    9  0.148778D+01          0.172538          0.397284
 Vib (V=0)   10  0.148270D+01          0.171054          0.393867
 Vib (V=0)   11  0.143231D+01          0.156037          0.359289
 Vib (V=0)   12  0.136889D+01          0.136367          0.313997
 Vib (V=0)   13  0.129893D+01          0.113587          0.261544
 Vib (V=0)   14  0.122563D+01          0.088361          0.203459
 Vib (V=0)   15  0.117557D+01          0.070248          0.161751
 Vib (V=0)   16  0.115429D+01          0.062313          0.143482
 Vib (V=0)   17  0.114933D+01          0.060446          0.139182
 Vib (V=0)   18  0.111663D+01          0.047909          0.110313
 Vib (V=0)   19  0.110758D+01          0.044377          0.102181
 Vib (V=0)   20  0.108176D+01          0.034132          0.078593
 Vib (V=0)   21  0.107285D+01          0.030538          0.070317
 Vib (V=0)   22  0.106553D+01          0.027565          0.063471
 Vib (V=0)   23  0.105959D+01          0.025138          0.057882
 Vib (V=0)   24  0.105353D+01          0.022648          0.052149
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.376492D+07          6.575756         15.141237
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3            3333333333333                             111111111111111111111111111111111                                        
     7            2111111110000                             866655554444444333332221111111000999998888887766665555444433322221111    
     2            1887763308640                             0750420099851108442096098877607618653195411075983197538621950743398317431
     9            5739064174468                             8629847365079339974571799843061431207762285098257768753837414283162965994
 
     X            XXXXXXXXXXXXX                             XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X                    X XXX                             XXX X X         X  X X XXXX X XXX     X           XX                     
     X                        X                             XXX X X            X X XXXX   XX                  X                      
     X                        X                             XXX X              X X XX                                                
                                                            X X                X                                                     
                                                            X X                X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000389    0.000001424   -0.000000038
      2        6           0.000000144   -0.000000742   -0.000000096
      3        6          -0.000001098   -0.000000526    0.000000059
      4        6           0.000000500    0.000000285    0.000000187
      5        6           0.000000395    0.000000199   -0.000000347
      6        6          -0.000000318   -0.000000418    0.000000172
      7        6          -0.000001379   -0.000001039    0.000000095
      8        6           0.000000228    0.000000638    0.000000125
      9        6          -0.000000186    0.000000675   -0.000000349
     10        6          -0.000000081   -0.000000802    0.000000272
     11        6           0.000000188   -0.000000131    0.000000473
     12        8          -0.000000119    0.000000109   -0.000000101
     13        6           0.000000311   -0.000000081    0.000000818
     14        1          -0.000000048    0.000000444   -0.000000092
     15        1          -0.000000006    0.000000374   -0.000000092
     16        1           0.000000269    0.000000444   -0.000000095
     17        1           0.000000103    0.000000767   -0.000000068
     18        1           0.000000203   -0.000000709    0.000000054
     19        1           0.000000188    0.000000207   -0.000000058
     20        1           0.000000102   -0.000000320   -0.000000003
     21        6          -0.000000637   -0.000000792    0.000000022
     22        6          -0.000000766   -0.000000261   -0.000000945
     23        1           0.000000155    0.000000503   -0.000000250
     24        1           0.000000003    0.000000232   -0.000000364
     25        1           0.000000003    0.000000660   -0.000000620
     26        1           0.000000069   -0.000000092    0.000000166
     27        1          -0.000000030    0.000000060    0.000000020
     28        1           0.000000719   -0.000000290    0.000000072
     29        8           0.000000389   -0.000000517    0.000000674
     30        8           0.000000514   -0.000000005    0.000000823
     31        1          -0.000000202   -0.000000296   -0.000000514
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000001424 RMS     0.000000462
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.292286D+03 -0.192868D+02 -0.804738D+01
      2  -0.192868D+02  0.182626D+03 -0.507257D+01
      3  -0.804738D+01 -0.507257D+01  0.123916D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.116997D+02  0.209767D+02  0.299655D+01
      2  -0.798507D+02 -0.165018D+01 -0.230156D+02
      3   0.101894D+03 -0.448302D+02 -0.566322D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.425177D+03 -0.109837D+03 -0.896287D+02
      2  -0.183398D+03  0.924300D+02  0.677682D+01
      3  -0.241779D+03  0.174069D+02  0.828518D+02
      4  -0.584199D+02  0.900746D+02 -0.360932D+01
      5  -0.612210D+01  0.232268D+01 -0.801176D+02
      6  -0.305265D+01  0.219773D+02 -0.199469D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.413416D+02 -0.801653D+01 -0.146559D+01 -0.414713D+01  0.227335D+01
      2  -0.801653D+01  0.100179D+02  0.242106D-02  0.227335D+01 -0.136089D+02
      3  -0.146559D+01  0.242106D-02  0.442408D+01  0.683122D+00  0.147978D+01
                 6             7             8             9            10 
      1   0.683122D+00 -0.217105D+01  0.117591D+01  0.709373D+01  0.567242D+01
      2   0.147978D+01  0.117591D+01  0.156282D+00 -0.132974D+01  0.200874D+01
      3  -0.238760D+00  0.709373D+01 -0.132974D+01 -0.134899D+01 -0.206504D+00
                11            12            13            14            15 
      1   0.200874D+01 -0.206504D+00 -0.135304D+02  0.397433D+01  0.939262D+00
      2   0.958895D+01 -0.140223D+01  0.397433D+01  0.406326D+01 -0.146346D+01
      3  -0.140223D+01  0.278587D+01  0.939262D+00 -0.146346D+01 -0.181248D+01
                16            17            18            19            20 
      1   0.152900D+01 -0.491567D+00  0.384186D+01 -0.368917D+02  0.114307D+02
      2  -0.491567D+00 -0.201607D+01 -0.266024D+01  0.114307D+02 -0.886893D+01
      3   0.384186D+01 -0.266024D+01 -0.324869D+00  0.162769D+01  0.619041D+00
                21            22            23            24            25 
      1   0.162769D+01  0.196734D+02 -0.554762D+01 -0.696906D+00  0.178455D+01
      2   0.619041D+00 -0.554762D+01  0.731570D+01  0.411591D+00 -0.300928D-01
      3  -0.556160D+00 -0.696906D+00  0.411591D+00  0.289528D+01  0.382847D+00
                26            27            28            29            30 
      1  -0.300928D-01  0.382847D+00  0.360378D+02 -0.982683D+01 -0.150033D+01
      2   0.111956D+01  0.443183D+01 -0.982683D+01  0.289246D+01  0.305020D+00
      3   0.443183D+01 -0.127651D+01 -0.150033D+01  0.305020D+00 -0.630241D-01
                31            32            33            34            35 
      1   0.450612D+02 -0.930544D+01 -0.305187D+01 -0.815491D+01  0.214819D+01
      2  -0.930544D+01  0.909432D+01  0.261682D+00  0.214819D+01 -0.102577D+01
      3  -0.305187D+01  0.261682D+00 -0.239892D+00  0.120754D+01  0.925139D+00
                36            37            38            39            40 
      1   0.120754D+01 -0.392521D+02  0.107507D+02  0.151793D+01 -0.414148D+02
      2   0.925139D+00  0.107507D+02 -0.734935D+01 -0.521085D+00  0.805667D+01
      3  -0.115557D+00  0.151793D+01 -0.521085D+00  0.145757D+00  0.278320D+01
                41            42            43            44            45 
      1   0.805667D+01  0.278320D+01  0.818838D+01 -0.201537D+01 -0.141686D+01
      2  -0.655145D+01 -0.119448D+00 -0.201537D+01  0.125450D+01 -0.827901D+00
      3  -0.119448D+00  0.937813D-01 -0.141686D+01 -0.827901D+00  0.247663D+00
                46            47            48            49            50 
      1  -0.657238D+01 -0.250794D+01  0.879919D+00 -0.101802D+01  0.351543D+01
      2  -0.250794D+01 -0.518046D+01  0.243802D+00  0.351543D+01 -0.254561D+01
      3   0.879919D+00  0.243802D+00 -0.257800D+01 -0.754436D+00 -0.725851D+00
                51            52            53            54            55 
      1  -0.754436D+00  0.671043D+00 -0.579433D+00 -0.680814D+00  0.123833D+02
      2  -0.725851D+00 -0.579433D+00 -0.771875D-01 -0.403234D+01  0.743336D+00
      3  -0.148833D+01 -0.680814D+00 -0.403234D+01  0.146040D+01 -0.157471D+01
                56            57            58            59            60 
      1   0.743336D+00 -0.157471D+01 -0.603735D+00 -0.268767D+01  0.773960D+00
      2   0.989513D+01  0.174921D+00 -0.268767D+01 -0.905040D-02  0.801456D+00
      3   0.174921D+00  0.232905D+01  0.773960D+00  0.801456D+00  0.166864D+01
                61            62            63            64            65 
      1  -0.904209D+00  0.814281D+00  0.121849D+01 -0.707746D+01 -0.189636D+01
      2   0.814281D+00  0.522333D-01  0.438670D+01 -0.189636D+01 -0.135840D+02
      3   0.121849D+01  0.438670D+01 -0.151609D+01  0.368603D+00  0.114348D+01
                66            67            68            69            70 
      1   0.368603D+00  0.842037D+01 -0.138993D+01 -0.502232D+00 -0.258323D+01
      2   0.114348D+01 -0.138993D+01 -0.756358D+01  0.127478D+01  0.585453D-01
      3  -0.298373D+01 -0.502232D+00  0.127478D+01  0.135030D+01 -0.543404D+01
                71            72            73            74            75 
      1   0.585453D-01 -0.543404D+01 -0.440831D+02  0.573507D+01  0.198014D+01
      2   0.297108D+01  0.257837D+01  0.573507D+01 -0.465373D+01  0.191870D+00
      3   0.257837D+01  0.841861D+00  0.198014D+01  0.191870D+00 -0.164474D+01
                76            77            78            79            80 
      1   0.923053D+01 -0.273837D+01 -0.118943D+01  0.675986D+00 -0.100153D+01
      2  -0.273837D+01  0.172807D+02 -0.131361D+01 -0.100153D+01 -0.896430D+00
      3  -0.118943D+01 -0.131361D+01 -0.423982D+00 -0.581404D+01  0.751596D+00
                81            82            83            84            85 
      1  -0.581404D+01  0.413510D+02 -0.110779D+02 -0.163668D+01 -0.202964D+02
      2   0.751596D+00 -0.110779D+02  0.112125D+02 -0.481001D+00  0.305293D+01
      3   0.107859D+01 -0.163668D+01 -0.481001D+00  0.231112D+00  0.587587D+00
                86            87            88            89            90 
      1   0.305293D+01  0.587587D+00 -0.287673D+01  0.312366D+00 -0.272602D+00
      2  -0.701278D+01  0.111832D+00  0.312366D+00 -0.892306D+00 -0.318042D+01
      3   0.111832D+00 -0.192330D+01 -0.272602D+00 -0.318042D+01  0.130455D+01
                91            92            93            94            95 
      1   0.681540D+01 -0.187110D+01 -0.792083D+00  0.472123D+01  0.237746D+01
      2  -0.187110D+01  0.192571D+01  0.162377D+00  0.237746D+01 -0.304657D+01
      3  -0.792083D+00  0.162377D+00  0.210617D+01 -0.606975D+00 -0.506051D+00
                96            97            98            99           100 
      1  -0.606975D+00  0.404147D+01  0.370261D+00  0.680400D+01 -0.125831D+02
      2  -0.506051D+00  0.370261D+00  0.910456D-01  0.246600D+01  0.517169D+01
      3   0.350720D+01  0.680400D+01  0.246600D+01 -0.475529D+00  0.359543D+00
               101           102           103           104           105 
      1   0.517169D+01  0.359543D+00 -0.129623D+01  0.292591D+01 -0.358662D+00
      2  -0.446905D+01 -0.829212D-01  0.292591D+01  0.998147D+00 -0.469346D+00
      3  -0.829212D-01 -0.510699D+00 -0.358662D+00 -0.469346D+00 -0.133290D+01
               106           107           108           109           110 
      1   0.121648D+01 -0.758392D+00 -0.148444D+00 -0.146924D+01 -0.439834D+01
      2  -0.758392D+00  0.443969D+00  0.669936D+00 -0.439834D+01  0.163827D+01
      3  -0.148444D+00  0.669936D+00 -0.302576D-01  0.349798D+00  0.802116D+00
               111           112           113           114           115 
      1   0.349798D+00 -0.497983D+01 -0.160152D+01  0.109598D+01  0.254085D+00
      2   0.802116D+00 -0.160152D+01  0.183865D+01  0.106035D+01  0.931003D+00
      3  -0.186753D+00  0.109598D+01  0.106035D+01  0.630240D+01 -0.226425D+01
               116           117           118           119           120 
      1   0.931003D+00 -0.226425D+01  0.621210D+01 -0.335640D+01 -0.273554D+00
      2   0.651225D+00  0.475618D+01 -0.335640D+01  0.287757D+01  0.290849D-01
      3   0.475618D+01 -0.125289D+01 -0.273554D+00  0.290849D-01  0.281183D+00
               121           122           123           124           125 
      1  -0.459282D+01  0.458603D+01 -0.147822D+00 -0.274793D+00 -0.202873D+00
      2   0.458603D+01 -0.559120D+01  0.944155D-01 -0.202873D+00  0.280979D+00
      3  -0.147822D+00  0.944155D-01 -0.522571D+00 -0.413224D+00 -0.687612D-01
               126           127           128           129           130 
      1  -0.413224D+00  0.175135D+01  0.284929D+01 -0.386426D+00  0.329007D+01
      2  -0.687612D-01  0.284929D+01  0.217340D+01 -0.441376D+00  0.366867D+01
      3   0.126671D+00 -0.386426D+00 -0.441376D+00  0.456652D+00 -0.558361D+00
               131           132           133           134           135 
      1   0.366867D+01 -0.558361D+00 -0.490940D+00 -0.648848D+00  0.335469D+00
      2   0.771062D+01 -0.997656D+00 -0.648848D+00 -0.103543D+01  0.173270D+00
      3  -0.997656D+00  0.967932D+00  0.335469D+00  0.173270D+00 -0.191312D+00
               136           137           138           139           140 
      1  -0.882030D+00 -0.164272D+01  0.254199D+00 -0.460397D+00 -0.130898D+01
      2  -0.164272D+01 -0.233579D+01  0.399053D+00 -0.130898D+01 -0.928648D+01
      3   0.254199D+00  0.399053D+00 -0.255354D+00  0.131044D+00  0.103136D+01
               141           142           143           144           145 
      1   0.131044D+00  0.183264D+00  0.342964D+00  0.604216D-01  0.119316D+01
      2   0.103136D+01  0.342964D+00  0.121856D+01 -0.209632D+00  0.180115D+01
      3  -0.879968D+00  0.604216D-01 -0.209632D+00  0.156190D+00 -0.280577D+00
               146           147           148           149           150 
      1   0.180115D+01 -0.280577D+00  0.751801D+00  0.184380D+01 -0.165643D+00
      2   0.273325D+01 -0.423510D+00  0.184380D+01  0.106225D+02 -0.109877D+01
      3  -0.423510D+00  0.273772D+00 -0.165643D+00 -0.109877D+01  0.921775D+00
               151           152           153           154           155 
      1   0.117786D+00 -0.453984D+00  0.750393D-01 -0.584964D+01  0.360002D+01
      2  -0.453984D+00 -0.139348D+01  0.214457D+00  0.360002D+01 -0.363609D+01
      3   0.750393D-01  0.214457D+00 -0.132344D+00  0.268701D+00 -0.683894D-01
               156           157           158           159           160 
      1   0.268701D+00  0.372833D+01 -0.464437D+01  0.198036D+00  0.147552D+00
      2  -0.683894D-01 -0.464437D+01  0.629012D+01 -0.177035D-01  0.290161D+00
      3  -0.421041D+00  0.198036D+00 -0.177035D-01  0.676127D+00  0.392359D+00
               161           162           163           164           165 
      1   0.290161D+00  0.392359D+00 -0.250601D+01 -0.245268D+01  0.202942D+00
      2  -0.320291D+00  0.268103D+00 -0.245268D+01 -0.958803D+00  0.196657D+00
      3   0.268103D+00 -0.202500D+00  0.202942D+00  0.196657D+00 -0.430726D+00
               166           167           168           169           170 
      1  -0.313807D+01 -0.292842D+01  0.469347D+00 -0.172591D+00  0.274776D+00
      2  -0.292842D+01 -0.572246D+01  0.744648D+00  0.274776D+00  0.391041D+00
      3   0.469347D+00  0.744648D+00 -0.928082D+00 -0.508531D+00 -0.323736D+00
               171           172           173           174           175 
      1  -0.508531D+00 -0.178112D+01  0.234807D+01  0.195311D+00  0.428958D+01
      2  -0.323736D+00  0.234807D+01 -0.167216D+01 -0.266606D+00 -0.240035D+01
      3   0.185056D-01  0.195311D+00 -0.266606D+00 -0.902964D+00 -0.564100D+00
               176           177           178           179           180 
      1  -0.240035D+01 -0.564100D+00 -0.176481D+00 -0.333932D+00 -0.133564D+01
      2   0.515814D+01  0.431784D+00 -0.333932D+00  0.362091D+00  0.646815D+00
      3   0.431784D+00  0.949040D+00 -0.133564D+01  0.646815D+00  0.344161D+00
               181           182           183           184           185 
      1   0.107128D+02  0.145330D+01 -0.184163D+01 -0.180486D+01 -0.208747D+01
      2   0.145330D+01 -0.142274D+01 -0.528033D+00 -0.208747D+01  0.257464D+01
      3  -0.184163D+01 -0.528033D+00 -0.295271D+01  0.717688D+00 -0.288460D+00
               186           187           188           189           190 
      1   0.717688D+00  0.270268D+01  0.402077D+00 -0.423502D+01  0.302945D+01
      2  -0.288460D+00  0.402077D+00  0.805437D-01 -0.335032D+01 -0.984670D+00
      3  -0.507387D+01 -0.423502D+01 -0.335032D+01 -0.538952D+00  0.213290D+01
               191           192           193           194           195 
      1  -0.984670D+00  0.213290D+01 -0.373487D+01 -0.486238D+00 -0.195674D+01
      2  -0.511531D+00 -0.111242D+01 -0.486238D+00 -0.963807D-01  0.574175D+00
      3  -0.111242D+01  0.922427D+00 -0.195674D+01  0.574175D+00 -0.419116D+01
               196           197           198           199           200 
      1   0.292395D+01 -0.145906D+01  0.343725D+00  0.146769D+02  0.190999D+01
      2  -0.145906D+01 -0.272882D+00 -0.270986D+01  0.190999D+01  0.100904D+01
      3   0.343725D+00 -0.270986D+01  0.272341D+00 -0.134495D+01 -0.201997D+00
               201           202           203           204           205 
      1  -0.134495D+01  0.540913D+01  0.180704D+01 -0.537814D+00 -0.172578D+01
      2  -0.201997D+00  0.180704D+01  0.140585D+01 -0.306798D+00 -0.265737D+00
      3   0.121594D+01 -0.537814D+00 -0.306798D+00  0.304999D+00  0.184880D+01
               206           207           208           209           210 
      1  -0.265737D+00  0.184880D+01 -0.556473D+00 -0.756272D-01 -0.887723D+00
      2  -0.282327D+00 -0.166526D+00 -0.756272D-01 -0.518494D+00 -0.111621D+00
      3  -0.166526D+00 -0.425342D+00 -0.887723D+00 -0.111621D+00 -0.578584D+00
               211           212           213           214           215 
      1  -0.159658D+01  0.193326D+01  0.118870D+01 -0.326371D+01  0.145410D+01
      2   0.193326D+01 -0.379303D+01 -0.268888D+01  0.145410D+01 -0.265607D+01
      3   0.118870D+01 -0.268888D+01 -0.316499D+01  0.229428D+01 -0.321206D+01
               216           217           218           219           220 
      1   0.229428D+01  0.757193D+00 -0.276671D+00  0.145043D+01 -0.133544D+01
      2  -0.321206D+01 -0.276671D+00 -0.857804D-01 -0.464841D+00  0.179465D+01
      3  -0.453628D+01  0.145043D+01 -0.464841D+00  0.100945D+00 -0.133071D+01
               221           222           223           224           225 
      1   0.179465D+01 -0.133071D+01  0.463849D+01 -0.189166D+01  0.295299D+01
      2  -0.244615D+01  0.179209D+01 -0.189166D+01  0.212347D+01 -0.279283D+01
      3   0.179209D+01 -0.256258D+01  0.295299D+01 -0.279283D+01  0.548405D+01
               226           227           228           229           230 
      1   0.377879D-01  0.466677D+00  0.113237D+01  0.142307D+01  0.412775D+00
      2   0.466677D+00  0.597455D+00  0.412367D+00  0.412775D+00  0.109539D+01
      3   0.113237D+01  0.412367D+00  0.243448D+01 -0.290216D+00  0.161497D+01
               231           232           233           234           235 
      1  -0.290216D+00  0.113759D+01  0.178774D+00  0.313504D+00  0.249864D+00
      2   0.161497D+01  0.178774D+00  0.132398D+01  0.181473D+01 -0.742532D+00
      3   0.356361D+01  0.313504D+00  0.181473D+01  0.782274D+01 -0.100780D+00
               236           237           238           239           240 
      1  -0.742532D+00 -0.100780D+00 -0.212035D+01  0.545709D-01  0.400513D+00
      2   0.107591D+01 -0.296236D+00  0.545709D-01 -0.527562D+01  0.111418D+01
      3  -0.296236D+00  0.103875D+01  0.400513D+00  0.111418D+01 -0.138746D+01
               241           242           243           244           245 
      1  -0.621248D+00 -0.201566D+00  0.596494D+00 -0.156090D+02 -0.192950D+01
      2  -0.201566D+00  0.398945D+00 -0.515317D+00 -0.192950D+01 -0.103146D+01
      3   0.596494D+00 -0.515317D+00  0.768671D-01  0.398553D+01  0.598375D+00
               246           247           248           249           250 
      1   0.398553D+01 -0.165237D+01 -0.141446D+01  0.319732D+00  0.135707D+01
      2   0.598375D+00 -0.141446D+01 -0.611927D+00  0.502569D+00  0.195903D+00
      3  -0.237204D+01  0.319732D+00  0.502569D+00  0.253865D+00 -0.160993D+01
               251           252           253           254           255 
      1   0.195903D+00 -0.160993D+01 -0.808588D+01  0.261990D+01 -0.417203D+01
      2  -0.175423D-01  0.553369D-01  0.261990D+01 -0.117960D+01  0.926997D+00
      3   0.553369D-01  0.100010D+01 -0.417203D+01  0.926997D+00 -0.263840D+01
               256           257           258           259           260 
      1   0.611062D+01 -0.206790D+01  0.227703D+01 -0.809785D+01  0.121850D+01
      2  -0.206790D+01  0.386851D+01 -0.249655D+01  0.121850D+01 -0.173362D+01
      3   0.227703D+01 -0.249655D+01  0.334878D+01 -0.549938D+01  0.275911D+01
               261           262           263           264           265 
      1  -0.549938D+01  0.236842D+01 -0.433592D+00  0.111227D+01 -0.340424D+01
      2   0.275911D+01 -0.433592D+00  0.114221D+01  0.120981D+01 -0.428468D+00
      3  -0.734024D+01  0.111227D+01  0.120981D+01  0.181805D+01  0.102173D+01
               266           267           268           269           270 
      1  -0.428468D+00  0.102173D+01  0.237176D+01  0.212453D+01  0.260413D+01
      2  -0.361321D+01  0.675531D+00  0.212453D+01  0.280115D+01  0.157759D+01
      3   0.675531D+00  0.108076D+01  0.260413D+01  0.157759D+01  0.449356D+01
               271           272           273           274           275 
      1  -0.139129D+01 -0.139916D+01 -0.135469D+01 -0.982856D+00 -0.123968D+01
      2  -0.139916D+01 -0.132184D+01 -0.101513D+01 -0.123968D+01 -0.254215D+01
      3  -0.135469D+01 -0.101513D+01 -0.148930D+01 -0.875029D+00 -0.148461D+01
               276           277           278           279 
      1  -0.875029D+00 -0.242762D+01 -0.195830D+01 -0.273291D+01
      2  -0.148461D+01 -0.195830D+01 -0.310124D+01 -0.309544D+01
      3  -0.171415D+01 -0.273291D+01 -0.309544D+01 -0.502060D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.348671D+00  0.471743D+01 -0.309976D+01  0.388699D+01 -0.107337D+01
      2  -0.109178D+02  0.459627D+01  0.363567D+01  0.588257D+01 -0.278822D+01
      3   0.128897D+02  0.134994D+02 -0.181885D+01  0.343639D+02 -0.393061D+00
                 6             7             8             9            10 
      1   0.429097D+01 -0.604724D+00  0.135547D+02 -0.152415D+01 -0.710755D-01
      2  -0.617921D+00  0.415408D+01  0.207070D+01 -0.242829D+01 -0.223949D+01
      3  -0.282774D+01 -0.376102D+01 -0.262874D+01  0.410707D+01 -0.217906D+02
                11            12            13            14            15 
      1   0.334530D+01  0.619062D+01  0.344931D-01  0.674807D-01 -0.219126D+01
      2   0.739593D+00  0.830324D+01  0.123571D+01 -0.258000D+01 -0.509255D+01
      3   0.938081D+00  0.464504D-01 -0.188497D+02 -0.933872D+01  0.305034D+01
                16            17            18            19            20 
      1   0.111725D+02  0.501148D+01 -0.266057D+01 -0.261755D+01 -0.400519D+01
      2  -0.561686D+01 -0.109693D+02  0.179449D+00  0.815735D+01 -0.567833D+01
      3   0.302243D+01  0.178078D+01  0.688199D+00 -0.383913D+02 -0.261168D+02
                21            22            23            24            25 
      1   0.131753D+01 -0.909215D+00  0.212729D+01 -0.426048D+01 -0.677817D+01
      2   0.238625D+01 -0.613401D+01  0.542963D+01  0.614811D+01 -0.170165D+02
      3   0.456769D+01  0.119937D+02  0.719861D+01 -0.286867D+01  0.378245D+01
                26            27            28            29            30 
      1   0.314469D+01  0.767017D+00  0.132722D+01  0.487206D+01 -0.103969D+01
      2   0.177835D+02 -0.234144D+01 -0.135064D+02  0.827302D+01 -0.474361D+01
      3  -0.154893D+01 -0.981123D+01  0.313857D+02  0.388606D+02 -0.620576D+01
                31            32            33            34            35 
      1   0.425112D+01  0.527902D+00  0.156559D+01 -0.536221D+01  0.675187D+01
      2  -0.724901D+01 -0.166879D+01  0.923547D+00 -0.180433D+02  0.185218D+01
      3   0.680765D+02 -0.314588D+02 -0.254961D+01 -0.791937D+01 -0.162911D+01
                36            37            38            39            40 
      1   0.153493D+00 -0.655657D+00  0.288373D+01 -0.104773D+01  0.323075D+01
      2   0.187543D+01  0.118547D+02  0.230594D+01 -0.842992D+00  0.115535D+02
      3   0.752952D+00 -0.163480D+02  0.428501D+02 -0.429084D+01  0.200920D+02
                41            42            43            44            45 
      1  -0.356486D+01 -0.212461D+00 -0.416349D+01  0.818625D+01 -0.591347D+00
      2  -0.506595D+01 -0.248769D+00 -0.213263D+02  0.255367D+01  0.150570D+01
      3  -0.276557D+02  0.118583D+01  0.260865D+01 -0.274359D+01  0.105359D+01
                46            47            48            49            50 
      1   0.193264D+01 -0.516541D+01 -0.550105D+01 -0.972517D+00  0.191721D+01
      2   0.245310D+00 -0.445982D+01 -0.631391D+01 -0.156850D+01  0.192924D+01
      3   0.356891D+02 -0.322638D+02  0.315585D+01 -0.635770D+01  0.308075D+02
                51            52            53            54            55 
      1  -0.310784D+01 -0.719927D+01 -0.171917D+01  0.194542D+01  0.157536D+01
      2  -0.237408D+01 -0.216696D+02 -0.305391D+01  0.432382D+01  0.225763D+01
      3  -0.151624D+01  0.149028D+01  0.188840D+01  0.988503D+01  0.351722D+02
                56            57            58            59            60 
      1  -0.186607D+01 -0.608331D+01 -0.258261D+01  0.144249D+01 -0.446166D+01
      2  -0.556912D+01  0.485919D+00 -0.287806D+01  0.400511D+01 -0.448693D+00
      3  -0.338721D+02  0.189384D+01 -0.606277D+01  0.246888D+02 -0.133081D+01
                61            62            63            64            65 
      1  -0.801783D+01 -0.433793D+01  0.382845D+01  0.175667D+00 -0.163061D+01
      2  -0.165038D+02  0.157209D+00  0.166138D+01 -0.236722D+01  0.133947D+01
      3  -0.147876D+00  0.211645D+01  0.437914D+01 -0.195044D+02  0.515748D+01
                66            67            68            69            70 
      1   0.772616D+01  0.334713D+01 -0.198992D+01 -0.685762D+00  0.142245D+02
      2   0.342350D+01 -0.599661D+01 -0.487497D+00 -0.245938D+01 -0.460516D+01
      3  -0.152922D+01  0.852511D+01  0.299647D+00 -0.151418D+01 -0.206358D+01
                71            72            73            74            75 
      1   0.544229D+01 -0.291858D+01 -0.556407D+01  0.191503D+01 -0.592871D-01
      2  -0.793640D+01  0.195405D+01  0.139151D+02 -0.156234D+01 -0.145619D+00
      3  -0.100241D+01 -0.575579D+01 -0.376756D+02  0.109038D+02  0.808069D+00
                76            77            78            79            80 
      1   0.138012D+01  0.510847D+01  0.475538D+00  0.229183D+01  0.130300D+02
      2   0.223074D+00 -0.196605D+00  0.210446D+01 -0.974875D+01  0.197921D+01
      3   0.325256D+02 -0.108233D+02  0.652911D+00 -0.201925D+01 -0.118282D+01
                81            82            83            84            85 
      1  -0.263806D+01  0.468042D+00 -0.667020D+00  0.114148D+01 -0.131222D+01
      2   0.186012D+01 -0.175580D+02  0.453796D+00  0.178976D+00  0.765095D+01
      3  -0.443659D+01  0.152008D+02 -0.385094D+02  0.392719D+01 -0.960553D+01
                86            87            88            89            90 
      1  -0.869238D+00 -0.138832D+01 -0.382411D+01  0.387972D+01 -0.295211D+00
      2   0.425608D+00  0.199447D+01 -0.179988D+02  0.845844D+01 -0.549852D+00
      3   0.598194D+01 -0.458543D+00  0.311916D+00  0.196772D+01 -0.211398D+01
                91            92            93            94            95 
      1   0.315829D+01  0.201787D+01  0.528217D+00  0.538292D+01 -0.159253D+01
      2  -0.462155D+01  0.387020D+00 -0.190299D+01 -0.458022D+01 -0.493034D+00
      3   0.953245D+01  0.250815D+01  0.117959D+01  0.293001D+02 -0.159764D+02
                96            97            98            99           100 
      1  -0.529519D+01  0.373732D+01  0.222143D+01  0.153646D+01  0.918005D+00
      2  -0.101578D+02 -0.370260D+02 -0.867976D+01 -0.263776D+01  0.444000D+01
      3  -0.264473D+01  0.811717D+01 -0.942200D+00  0.160002D+02 -0.628773D+01
               101           102           103           104           105 
      1  -0.464327D+01  0.343175D+01  0.806769D-01 -0.124996D+01 -0.528952D+01
      2  -0.354736D+01  0.129849D+02 -0.129393D+01 -0.213625D+01 -0.774931D+01
      3  -0.372895D+02  0.221603D+01 -0.260216D+01 -0.798587D+01  0.191498D+01
               106           107           108           109           110 
      1   0.136358D+01 -0.126504D+01  0.188598D+00  0.132685D+01  0.168037D+01
      2  -0.714506D+01  0.253469D+01 -0.456016D+00  0.123348D+01  0.471650D+01
      3   0.563575D+00  0.443198D+01 -0.304130D+01  0.348774D+02  0.442940D+01
               111           112           113           114           115 
      1  -0.127277D+01  0.131416D+01 -0.653902D+00  0.635988D+01 -0.104425D+02
      2  -0.164949D+01  0.609454D+01  0.518127D+01  0.399822D+02 -0.174340D+02
      3  -0.693581D+01  0.199641D+02 -0.258364D+02 -0.715370D+01 -0.625399D+01
               116           117           118           119           120 
      1   0.851257D+01 -0.262076D+01 -0.127092D+01  0.537645D+00  0.170032D+01
      2   0.302441D+02 -0.823101D+01 -0.216682D+01  0.659291D+00  0.160775D+01
      3  -0.532104D+01 -0.310087D+02 -0.371178D+01 -0.427733D+01  0.579173D+00
               121           122           123           124           125 
      1   0.281913D-01 -0.167852D+00 -0.290003D+01 -0.238984D+01  0.122267D+01
      2   0.142769D+00 -0.206947D+00 -0.283119D+01 -0.285226D+01  0.976542D-01
      3  -0.470043D+01  0.128626D+02 -0.213017D+00  0.162868D+01 -0.965152D+00
               126           127           128           129           130 
      1   0.319132D+00  0.142069D+00  0.242382D+00 -0.151427D+01  0.300175D+00
      2   0.629719D+00 -0.883103D+00 -0.105120D+01  0.193595D+01 -0.105069D+01
      3   0.878378D+00 -0.391330D+01 -0.370648D+01  0.742552D+00 -0.228052D+01
               131           132           133           134           135 
      1  -0.221443D+00 -0.375466D+01 -0.208817D+00  0.176944D+01  0.397315D+00
      2  -0.266118D+01  0.354447D+01 -0.172424D+01 -0.147474D+00 -0.338785D+00
      3  -0.188456D+02  0.206687D+01  0.100964D+01  0.222701D+01  0.292516D+00
               136           137           138           139           140 
      1   0.336679D+00  0.210623D+00 -0.149829D+01 -0.274656D-01 -0.521827D+00
      2   0.101332D+01  0.939893D+00  0.177069D+00  0.632657D+00  0.191215D+01
      3   0.833219D+01  0.582069D+01 -0.130240D+01  0.632204D+01  0.187058D+02
               141           142           143           144           145 
      1  -0.419755D+01  0.618286D+00  0.281359D+01  0.161503D+00  0.998764D+00
      2  -0.311556D+00 -0.394689D+00 -0.696755D-01 -0.501748D-01  0.388544D+00
      3  -0.218373D+01 -0.157965D+01 -0.287465D+01 -0.178658D+00  0.572834D+01
               146           147           148           149           150 
      1   0.118380D+01 -0.181442D+01  0.746108D+00  0.275763D+01 -0.517663D+01
      2  -0.121357D-01  0.861951D+00  0.293134D+00 -0.168086D+00  0.125056D+01
      3   0.320166D+01 -0.888244D+00  0.546217D+01  0.387918D+01 -0.645052D+00
               151           152           153           154           155 
      1   0.121850D+01  0.209084D+01  0.302509D+00  0.118284D+00 -0.422516D+00
      2  -0.120107D+01  0.104735D+01 -0.502941D+00 -0.508789D-01 -0.195969D+00
      3  -0.896984D+00 -0.132815D+01 -0.645477D+00 -0.103808D+02  0.152554D+01
               156           157           158           159           160 
      1   0.255185D+01 -0.176534D+01  0.163515D+01 -0.346847D+01 -0.262373D+01
      2   0.184891D+01 -0.836130D+00  0.522803D+00 -0.261314D+01 -0.247604D+01
      3   0.414819D+00  0.359487D+01  0.579070D+00  0.327579D+00  0.144528D+01
               161           162           163           164           165 
      1   0.954567D+00  0.677968D+00 -0.116776D+01 -0.958200D-01 -0.160847D+01
      2  -0.145147D+00  0.326703D+00  0.587160D+00  0.590982D+00  0.426686D+00
      3   0.997008D-01  0.821149D+00  0.280394D+01  0.121592D+01  0.163701D+00
               166           167           168           169           170 
      1  -0.704797D+00 -0.212517D+01 -0.329681D+01 -0.183212D+01  0.180395D+01
      2   0.106302D+01 -0.839874D-02  0.156656D+01 -0.159375D+01 -0.875844D+00
      3   0.452214D+01 -0.475137D+01  0.253170D+00 -0.762484D+00  0.607004D+00
               171           172           173           174           175 
      1  -0.835285D-01  0.127484D+01 -0.859267D+00  0.969387D+00 -0.570539D+00
      2   0.693778D+00  0.204936D+00 -0.460235D+00  0.387880D+01 -0.211985D-02
      3   0.882426D+00  0.822705D+01 -0.670846D+01 -0.961181D+00 -0.267258D+01
               176           177           178           179           180 
      1   0.309980D+01 -0.237856D+01  0.194119D+00  0.121592D+01  0.467482D+00
      2   0.305320D+00 -0.354125D+01  0.279614D+01 -0.168075D+01 -0.602347D+00
      3   0.190943D+02  0.733341D+00 -0.185152D+01  0.142617D+01  0.140859D+01
               181           182           183           184           185 
      1   0.240230D+01 -0.578222D+01 -0.215611D+01 -0.365806D+01  0.729068D+01
      2  -0.132581D+02 -0.195670D+01  0.180770D+02 -0.380743D+01  0.573424D+01
      3  -0.146821D+01 -0.127612D+02  0.168830D+01 -0.119488D+02  0.150078D+02
               186           187           188           189           190 
      1  -0.548700D+01  0.712062D+00 -0.269915D+00 -0.979996D+01 -0.407833D+00
      2   0.174594D+02  0.133884D+02  0.118231D+02  0.930037D+01  0.999381D+01
      3   0.120958D+01  0.679024D+01 -0.164023D+00 -0.137759D+02 -0.986359D+01
               191           192           193           194           195 
      1  -0.670528D+01 -0.348111D+01 -0.801473D+01  0.157765D+01 -0.186748D+01
      2   0.608874D+01  0.582961D+01  0.164319D+02 -0.875381D+00  0.153286D+02
      3  -0.799769D+01 -0.754565D+01 -0.448707D+01 -0.679063D+00  0.517424D+01
               196           197           198           199           200 
      1   0.113886D+01 -0.305767D+00  0.123389D+01 -0.153433D+01 -0.837171D+00
      2  -0.366035D+01  0.919779D+01 -0.118287D+02 -0.414341D+01 -0.833370D+00
      3  -0.693367D+01  0.147241D+02 -0.118706D+02 -0.216208D+02 -0.111437D+02
               201           202           203           204           205 
      1   0.397220D+00 -0.859409D+00 -0.738430D+00 -0.715382D+00  0.159311D+01
      2   0.938199D+01 -0.192696D+01 -0.132024D+01  0.224771D+01  0.895133D+01
      3   0.237494D+01 -0.134069D+02 -0.100137D+02  0.219830D+01  0.292491D+01
               206           207           208           209           210 
      1   0.314507D+00 -0.871069D-01  0.302218D+00  0.103086D+00 -0.118566D+01
      2  -0.100532D+01 -0.213929D+01 -0.652403D+01 -0.977432D+00 -0.294090D+01
      3   0.229273D+01  0.339066D+00  0.249707D+01  0.259646D+01  0.191545D+01
               211           212           213           214           215 
      1   0.409636D+00  0.269469D+00 -0.356379D+01  0.183461D+01  0.231646D+00
      2   0.435580D+01 -0.141663D+02 -0.182550D+02  0.885060D+01 -0.183379D+02
      3  -0.866971D+01  0.263697D+02  0.158974D+02 -0.556959D+01  0.172999D+02
               216           217           218           219           220 
      1  -0.434917D+01  0.591767D+00 -0.268757D+00 -0.868090D-01 -0.150189D+01
      2  -0.249271D+02  0.957009D+01 -0.274371D+01  0.108933D+01 -0.666424D+01
      3   0.195944D+02  0.254590D+01 -0.467846D+00  0.156556D+01 -0.866014D+01
               221           222           223           224           225 
      1   0.186006D+01 -0.399658D+01  0.382236D+01 -0.857292D+00  0.725065D+01
      2   0.104499D+02 -0.157337D+02  0.136093D+02 -0.170595D+02  0.325454D+02
      3   0.179234D+02 -0.107633D+02  0.777271D+01 -0.144088D+02  0.172322D+02
               226           227           228           229           230 
      1   0.143375D+01  0.274215D+01  0.136752D+01  0.188105D+01  0.392513D+01
      2  -0.612746D+01 -0.238079D+01 -0.998624D+01 -0.238877D+01 -0.670957D+01
      3   0.156042D+01  0.216781D+01  0.206316D+00  0.328793D+01  0.342691D+01
               231           232           233           234           235 
      1   0.329729D+01  0.772674D+00  0.602925D+01  0.711736D+01 -0.315194D+01
      2  -0.123097D+02 -0.598199D+01 -0.757392D+01 -0.288543D+02 -0.162446D+01
      3   0.461650D+01 -0.160083D+00  0.394156D+01  0.478858D+01 -0.735844D+01
               236           237           238           239           240 
      1   0.290740D+01  0.112542D+01  0.154051D+01 -0.119381D+02 -0.136018D+01
      2   0.278149D+01 -0.285004D+01  0.269023D+01 -0.588012D+01  0.398115D+01
      3   0.578535D+01 -0.680183D+00  0.511127D+01 -0.218938D+02  0.378191D+01
               241           242           243           244           245 
      1   0.474588D+00  0.776170D+00 -0.202452D+01 -0.190896D+01 -0.275510D+01
      2  -0.190983D+01  0.178662D+01 -0.141970D+01  0.119675D+02  0.461290D+00
      3   0.818512D+00  0.998659D+00 -0.287565D+01 -0.183824D+01 -0.708397D+01
               246           247           248           249           250 
      1  -0.348646D+00 -0.242421D+01 -0.169058D+01  0.854409D-01 -0.397902D+00
      2   0.607590D+01  0.135835D+01 -0.120502D-01 -0.113469D+01  0.227980D+01
      3   0.161096D+01 -0.370960D+01 -0.345207D+01  0.157367D+01 -0.856418D+00
               251           252           253           254           255 
      1   0.980170D+00  0.772262D+00 -0.415760D+01  0.492253D+01  0.233031D+01
      2  -0.647445D+00 -0.144155D+01  0.815156D+01 -0.284437D+01  0.102847D+02
      3   0.120908D+01  0.785074D+00  0.981971D+01 -0.893840D+01  0.475290D+01
               256           257           258           259           260 
      1   0.442109D+01 -0.597276D+01 -0.908106D+00 -0.143364D+01  0.878126D+01
      2  -0.130478D+02  0.794050D+01 -0.127921D+02  0.174571D+02 -0.974529D+01
      3  -0.208915D+01  0.184025D+02 -0.100303D+02 -0.253884D+01 -0.163039D+02
               261           262           263           264           265 
      1  -0.116727D+01  0.482561D+01  0.141835D+01  0.267281D+01 -0.192435D+01
      2   0.321863D+02 -0.544156D+01 -0.601525D+01 -0.420454D+01 -0.214011D+01
      3   0.932691D+01 -0.299798D+01  0.250815D+01  0.335064D+01  0.131199D+01
               266           267           268           269           270 
      1   0.421705D+01 -0.547989D+01  0.266400D+01  0.220737D+01  0.729775D+01
      2  -0.133791D+01 -0.346404D+01 -0.866347D+01 -0.445172D+01 -0.140633D+02
      3  -0.179965D+02  0.244549D+01  0.550686D+01  0.653135D+01  0.228896D+01
               271           272           273           274           275 
      1  -0.452003D+00  0.398344D-02 -0.165319D+01 -0.976440D+00 -0.918198D+00
      2   0.341840D+01  0.341949D+01  0.466251D+01  0.195636D+01  0.492668D+01
      3  -0.347418D+01 -0.413870D+01 -0.248020D+01 -0.219490D+01 -0.776695D+01
               276           277           278           279 
      1  -0.258745D+01 -0.219141D+01 -0.864308D+00 -0.617874D+01
      2   0.560382D+01  0.694943D+01  0.104326D+02  0.177742D+02
      3  -0.438636D+01 -0.447897D+01 -0.104991D+02 -0.999066D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.152980D+03 -0.416779D+02 -0.571709D+01  0.907820D+01 -0.323323D+02
      2  -0.857294D+02  0.260135D+02  0.198124D+01 -0.123051D+02  0.338093D+02
      3  -0.672509D+02  0.156644D+02  0.373586D+01  0.322689D+01 -0.147693D+01
      4  -0.178182D+02  0.336580D+02 -0.865843D+00 -0.311391D+02 -0.628323D+02
      5   0.418808D+00 -0.379480D+00  0.978752D+01  0.748819D+01  0.648922D+01
      6   0.361459D+00  0.152595D+01  0.576578D+01  0.571796D+01 -0.362892D+01
                 6             7             8             9            10 
      1   0.432852D+01 -0.523938D+01  0.868316D+01  0.251252D+02  0.462802D+01
      2  -0.573059D+01  0.491692D+01 -0.720947D+01 -0.236577D+02 -0.346362D+01
      3   0.140207D+01  0.322463D+00 -0.147369D+01 -0.146754D+01 -0.116440D+01
      4   0.909554D+01  0.103161D+02  0.231083D+01 -0.325957D+01  0.352354D+02
      5  -0.178599D+01  0.512721D+02 -0.905390D+01 -0.394514D+01  0.372957D+01
      6  -0.638333D+01  0.308468D+00  0.468455D+01  0.185644D+01 -0.582408D+01
                11            12            13            14            15 
      1   0.625553D+02 -0.450301D+01 -0.766614D+02  0.366059D+02  0.126021D+01
      2  -0.421587D+02  0.526745D+00  0.535750D+02 -0.302596D+02 -0.818166D+00
      3  -0.203966D+02  0.397626D+01  0.230864D+02 -0.634623D+01 -0.442045D+00
      4   0.366120D+02 -0.825539D+01  0.344468D+02  0.291580D+02 -0.891108D+01
      5  -0.951028D+01  0.175539D+02  0.321543D+01 -0.745885D+01 -0.120560D+02
      6   0.280809D+01 -0.123405D+02 -0.636291D+01  0.295271D+01  0.562487D+01
                16            17            18            19            20 
      1   0.119230D+02 -0.127607D+02  0.111494D+01 -0.113649D+03  0.109524D+02
      2  -0.108061D+02  0.994349D+01 -0.733576D+01  0.527831D+02 -0.286405D+01
      3  -0.111690D+01  0.281718D+01  0.622082D+01  0.608661D+02 -0.808832D+01
      4  -0.737487D+01 -0.920895D+01 -0.146429D+02  0.134525D+02 -0.368111D+02
      5   0.269173D+02 -0.164436D+02  0.216625D+01  0.704764D+01  0.701823D+01
      6  -0.159815D+02  0.106406D+02  0.300373D+01  0.524155D+01  0.111837D+01
                21            22            23            24            25 
      1   0.680830D+01  0.907118D+02 -0.142036D+02 -0.624190D+01  0.162206D+01
      2  -0.358068D+01 -0.588012D+02 -0.444609D+01  0.635397D+01  0.129797D+01
      3  -0.322762D+01 -0.319106D+02  0.186497D+02 -0.112066D+00 -0.292003D+01
      4   0.606090D+01 -0.102261D+02  0.243078D+02  0.304065D+01  0.357770D+01
      5   0.261610D+01 -0.243826D+01  0.387300D+01  0.139540D+02  0.578842D+01
      6  -0.877311D+00  0.229466D+01  0.596810D+01  0.737473D+01  0.335673D+01
                26            27            28            29            30 
      1   0.280112D+01 -0.172724D+02  0.899041D+02 -0.570898D+00 -0.920794D+01
      2   0.261416D+01  0.270442D-01 -0.391932D+02 -0.192366D+01  0.328646D+01
      3  -0.541528D+01  0.172454D+02 -0.507108D+02  0.249455D+01  0.592148D+01
      4   0.875535D+01  0.250931D+02 -0.129569D+02  0.677013D+01 -0.650452D+00
      5   0.263271D+02 -0.408933D+01 -0.574491D+01 -0.265021D+01 -0.897357D+01
      6   0.154845D+02 -0.166361D+01 -0.391823D+01  0.130125D+01  0.134084D+01
                31            32            33            34            35 
      1   0.940404D+02 -0.365320D+02 -0.548489D+01 -0.195112D+02  0.302257D+01
      2  -0.451488D+02  0.314927D+02  0.547579D+00  0.881654D+01 -0.269733D+01
      3  -0.488916D+02  0.503938D+01  0.493732D+01  0.106947D+02 -0.325242D+00
      4  -0.191509D+02  0.144519D+02 -0.372144D+00  0.348325D+01 -0.861189D+00
      5   0.430265D+01 -0.257555D+01  0.305726D+00 -0.188138D+00  0.277393D+01
      6  -0.316036D+01  0.409789D+00 -0.308961D+01  0.398739D+01  0.445398D+01
                36            37            38            39            40 
      1  -0.718455D+01 -0.891838D+02  0.529931D+02  0.164038D+00 -0.887801D+02
      2  -0.154203D+01  0.490108D+02 -0.350401D+02 -0.945478D+00  0.480983D+02
      3   0.872659D+01  0.401730D+02 -0.179529D+02  0.781441D+00  0.406818D+02
      4   0.302916D+01  0.538884D+02 -0.249530D+01 -0.332491D+01 -0.743338D+01
      5   0.304098D+01 -0.108444D+01 -0.195218D+01 -0.285632D+00 -0.177464D+01
      6   0.118146D+01 -0.190081D+01 -0.624167D+00  0.189895D+01  0.422675D+01
                41            42            43            44            45 
      1  -0.336937D+00  0.663020D+01  0.155339D+02 -0.675928D+01 -0.116708D+02
      2   0.416241D+01 -0.502569D+01 -0.790641D+01  0.396844D+01 -0.387677D+00
      3  -0.382547D+01 -0.160451D+01 -0.762751D+01  0.279083D+01  0.120585D+02
      4  -0.555301D+01  0.152789D+01 -0.480038D+01  0.112068D+01  0.107350D+01
      5   0.295241D+01  0.525684D+00  0.163162D+00 -0.137176D+01  0.144588D+01
      6  -0.315388D+01 -0.360589D+00  0.218511D+01  0.347769D+01 -0.975892D-01
                46            47            48            49            50 
      1  -0.226912D+01 -0.568728D+02  0.248279D+01  0.232612D+01  0.253621D+02
      2  -0.272563D+01  0.374094D+02  0.201754D+00 -0.569193D+01 -0.255201D+02
      3   0.499475D+01  0.194634D+02 -0.268455D+01  0.336581D+01  0.158022D+00
      4  -0.399303D+02 -0.321400D+02  0.567559D+01  0.326285D+02 -0.154962D+02
      5  -0.185567D+01  0.639576D+01 -0.136890D+02 -0.216419D+01 -0.570054D+00
      6   0.582824D+01  0.212453D+01  0.102503D+02  0.560805D-01  0.612962D+01
                51            52            53            54            55 
      1  -0.532959D+01 -0.247295D+01 -0.266398D+00 -0.222367D+02  0.183930D+02
      2   0.601548D+01  0.260422D+01  0.511980D+01  0.653822D+01 -0.131599D+02
      3  -0.685889D+00 -0.131266D+00 -0.485340D+01  0.156985D+02 -0.523304D+01
      4  -0.156341D+01 -0.511738D+00  0.449492D+01 -0.114137D+02  0.352759D+01
      5  -0.265262D+01 -0.316917D+00 -0.126634D+02  0.752666D+01  0.702612D+01
      6   0.721020D+01  0.113853D+01  0.198264D+02 -0.449097D+01  0.146466D+01
                56            57            58            59            60 
      1  -0.553749D+02 -0.110266D+01  0.133150D+02  0.453729D+01 -0.419755D+01
      2   0.465918D+02  0.707593D+00 -0.135129D+02 -0.150015D+02  0.544515D+01
      3   0.878319D+01  0.395072D+00  0.197893D+00  0.104642D+02 -0.124759D+01
      4  -0.853799D+01  0.131340D+01  0.383083D+01 -0.109977D+02  0.227568D+01
      5   0.412536D+01 -0.153946D+01 -0.203987D+01  0.186119D+01  0.147263D+01
      6   0.739514D+01  0.119747D+02  0.142700D+01  0.792184D+01  0.100489D+02
                61            62            63            64            65 
      1  -0.592564D+01  0.824607D+00 -0.242197D+02 -0.931870D+01  0.734839D+02
      2   0.550590D+01  0.300104D+01  0.134494D+02  0.111681D+01 -0.614806D+02
      3   0.419741D+00 -0.382565D+01  0.107703D+02  0.820189D+01 -0.120033D+02
      4   0.842319D+00  0.539538D+01  0.522366D+01  0.842360D+01 -0.139002D+02
      5   0.505014D+01  0.483433D+00  0.246216D+01 -0.610834D+00 -0.542209D+01
      6   0.563075D+01  0.259456D+02 -0.409527D+01 -0.348300D+01 -0.168361D+01
                66            67            68            69            70 
      1  -0.404877D+01 -0.248096D+02  0.381183D+02 -0.600309D+01  0.100252D+02
      2   0.311037D+01  0.272412D+02 -0.413781D+02  0.287214D+01 -0.767075D+01
      3   0.938402D+00 -0.243158D+01  0.325976D+01  0.313095D+01 -0.235445D+01
      4  -0.391350D+00  0.113573D+02  0.127563D+02 -0.340982D+01 -0.369075D+01
      5   0.832116D+01  0.225813D+01 -0.609483D+01 -0.681450D+01  0.241117D+02
      6  -0.141977D+02 -0.709689D+01  0.112629D+01  0.424874D+01 -0.204618D+02
                71            72            73            74            75 
      1  -0.173920D+02 -0.134488D+02 -0.656061D+01  0.618341D+01  0.699577D+00
      2   0.143891D+02  0.308830D+01 -0.665768D+01 -0.940421D+01  0.274563D+01
      3   0.300289D+01  0.103605D+02  0.132183D+02  0.322080D+01 -0.344521D+01
      4  -0.897586D+00 -0.100520D+02  0.164245D+02  0.102929D+02 -0.213607D+01
      5  -0.720837D+01 -0.780855D+00 -0.854596D+01 -0.125642D+01  0.314447D+01
      6   0.155760D+02  0.661928D+01  0.188119D+01 -0.252682D+01 -0.273121D+01
                76            77            78            79            80 
      1   0.313883D+02 -0.732732D+02  0.441685D+01  0.976753D+01  0.563925D+01
      2  -0.219829D+02  0.722749D+02 -0.601990D+01 -0.162576D+01 -0.701619D+01
      3  -0.940540D+01  0.998330D+00  0.160305D+01 -0.814177D+01  0.137694D+01
      4  -0.393295D+02 -0.388274D+01  0.206531D+01  0.581245D+01 -0.228679D+01
      5   0.553349D+01  0.427153D+01  0.326972D+01  0.280113D+02 -0.226756D+01
      6   0.426545D+01  0.270611D+01 -0.306459D+01 -0.656137D+01  0.446679D+01
                81            82            83            84            85 
      1  -0.309187D+01  0.570288D+02 -0.594330D+02 -0.234746D-01  0.762719D+01
      2  -0.754844D+01 -0.336918D+02  0.460249D+02 -0.222315D+01 -0.167015D+02
      3   0.106403D+02 -0.233369D+02  0.134081D+02  0.224663D+01  0.907428D+01
      4   0.361749D+01 -0.494627D+02 -0.169920D+00  0.452739D+01  0.222339D+02
      5  -0.390810D+01  0.539767D+01  0.417578D+01 -0.313286D+01 -0.320564D+01
      6   0.312685D+01  0.286938D+01  0.289061D+01 -0.229707D+00  0.143377D+01
                86            87            88            89            90 
      1   0.313972D+02 -0.962670D+00 -0.595181D+01  0.606859D+01 -0.816292D+01
      2  -0.352884D+02  0.504415D+01  0.292293D+01  0.557159D+00 -0.672226D+01
      3   0.389124D+01 -0.408148D+01  0.302888D+01 -0.662575D+01  0.148852D+02
      4  -0.483291D+01 -0.299446D+00  0.524228D+01  0.175320D+01  0.334043D+01
      5   0.288981D+00  0.589100D+01  0.293878D+01  0.882241D+01 -0.848424D+00
      6   0.103296D+01  0.372217D+01  0.182133D+01  0.644318D+01 -0.263116D+01
                91            92            93            94            95 
      1   0.203775D+02  0.105771D+02 -0.553448D+01 -0.473834D+00 -0.136534D+02
      2  -0.141217D+02 -0.441777D+01 -0.443200D+01  0.107365D+02  0.246297D+01
      3  -0.625581D+01 -0.615932D+01  0.996648D+01 -0.102627D+02  0.111904D+02
      4  -0.200347D+01 -0.170558D+02 -0.332363D+01 -0.314230D+02  0.319302D+02
      5   0.194392D+01 -0.357855D+01 -0.128381D+02  0.475016D+01  0.588736D+01
      6  -0.433618D+01  0.309531D+01 -0.333094D+01  0.542416D+01 -0.543607D+01
                96            97            98            99           100 
      1  -0.541035D+01 -0.117944D+02 -0.349576D+01 -0.124248D+02 -0.845886D+01
      2  -0.662834D+01  0.105397D+01 -0.418879D+00  0.885497D+01  0.256086D+01
      3   0.120387D+02  0.107404D+02  0.391464D+01  0.356987D+01  0.589800D+01
      4   0.465302D+01 -0.282406D+01  0.946679D+00 -0.250526D+02  0.303502D+02
      5  -0.249955D+02 -0.518752D+02 -0.199492D+02  0.886989D+01 -0.240065D+01
      6  -0.415621D+01 -0.986930D+01 -0.505627D+01  0.341363D+01 -0.529740D+00
               101           102           103           104           105 
      1   0.391675D+02  0.147156D+01  0.398633D+01  0.105452D+02 -0.396624D+01
      2  -0.233590D+02  0.121140D+01  0.140062D+01 -0.424892D+01  0.278196D+01
      3  -0.158085D+02 -0.268296D+01 -0.538696D+01 -0.629625D+01  0.118428D+01
      4   0.376822D+01 -0.557475D+00  0.334401D+02  0.135765D+02 -0.432440D+01
      5  -0.616533D+00  0.245725D+02 -0.550887D+01 -0.281955D+01 -0.137894D+02
      6  -0.213911D+01 -0.640254D+01 -0.161618D+01  0.163140D+00  0.928473D+01
               106           107           108           109           110 
      1   0.154872D+01 -0.420102D+01  0.840926D+00 -0.782648D+02 -0.453749D+02
      2   0.711848D+00  0.338882D+01  0.362918D+00  0.463566D+02  0.234692D+02
      3  -0.226057D+01  0.812202D+00 -0.120384D+01  0.319082D+02  0.219057D+02
      4  -0.499978D+01 -0.600589D+00  0.610998D+01 -0.445679D+02  0.776506D+01
      5   0.730583D+01  0.466510D+01 -0.377870D+01  0.104663D+02  0.948321D+01
      6   0.252875D+01  0.368114D+01 -0.152902D+01  0.264194D+01 -0.168355D+01
               111           112           113           114           115 
      1   0.105181D+02 -0.540388D+02  0.490753D+01  0.195195D+02  0.988851D+01
      2  -0.653293D+01  0.259297D+02 -0.325384D+01 -0.916429D+01 -0.489220D+01
      3  -0.398518D+01  0.281091D+02 -0.165369D+01 -0.103552D+02 -0.499631D+01
      4   0.866821D+01 -0.206580D+02  0.260825D+02  0.102775D+02  0.111690D+02
      5  -0.951758D+01  0.145207D+02  0.990908D+01  0.768456D+02 -0.268926D+02
      6   0.144859D+01  0.688468D+00 -0.530360D+01 -0.212852D+02  0.110953D+02
               116           117           118           119           120 
      1   0.149370D+02  0.326528D+00  0.365559D+02 -0.143565D+02 -0.165396D+01
      2  -0.765291D+01 -0.278673D+01 -0.120318D+02  0.284129D+00  0.836541D+00
      3  -0.728408D+01  0.246020D+01 -0.245242D+02  0.140723D+02  0.817420D+00
      4   0.602714D+01  0.514090D+02 -0.326419D+02  0.264738D+02  0.297302D+00
      5   0.544361D+02 -0.170864D+02 -0.178085D+00 -0.920414D+00  0.312526D+01
      6  -0.164365D+02  0.673196D-01  0.370838D+00  0.517106D-01 -0.182916D+01
               121           122           123           124           125 
      1  -0.171966D+02  0.619934D+01  0.779419D-01 -0.244861D+01  0.446891D+00
      2  -0.344871D+01  0.146443D+02 -0.240108D-02  0.215048D+01 -0.112148D+01
      3   0.206453D+02 -0.208436D+02 -0.755408D-01  0.298136D+00  0.674585D+00
      4   0.386933D+02 -0.435881D+02  0.703981D+00 -0.100225D+01  0.175899D+01
      5  -0.258948D+01  0.290587D+01 -0.466016D+01 -0.152869D+01 -0.119652D+01
      6   0.130531D+01 -0.133172D+01  0.435778D+01  0.892279D+00  0.145936D+01
               126           127           128           129           130 
      1  -0.115442D+01  0.385124D+01  0.812637D+01 -0.639477D+00  0.517583D+01
      2   0.134805D+01  0.363906D+01  0.142126D+01  0.241375D-01  0.775696D+01
      3  -0.193631D+00 -0.749030D+01 -0.954763D+01  0.615340D+00 -0.129328D+02
      4  -0.186639D+01  0.235653D+02  0.230273D+02 -0.373523D+01  0.307045D+02
      5   0.577598D+00 -0.222490D+01 -0.265205D+01  0.390211D+01 -0.297732D+01
      6  -0.498603D+00 -0.165164D+01 -0.198208D+01  0.234785D+01 -0.255351D+01
               131           132           133           134           135 
      1  -0.109079D+02  0.130011D+01 -0.496564D+00  0.102154D+00 -0.823806D+00
      2   0.284433D+02 -0.224966D+01 -0.551220D+00 -0.228232D+01  0.249015D+01
      3  -0.175354D+02  0.949554D+00  0.104778D+01  0.218017D+01 -0.166635D+01
      4   0.537240D+02 -0.670145D+01 -0.496341D+01 -0.758596D+01  0.250083D+01
      5  -0.421785D+01  0.621878D+01  0.267011D+01  0.726320D+00 -0.141613D+01
      6  -0.546077D+01  0.660618D+01  0.300339D+01  0.290927D+01 -0.180447D+01
               136           137           138           139           140 
      1  -0.698215D+01 -0.154786D+02  0.257817D+01 -0.736273D+01 -0.470362D+02
      2   0.736959D+01  0.149798D+02 -0.177500D+01  0.731876D+01  0.568568D+02
      3  -0.387435D+00  0.498817D+00 -0.803170D+00  0.439719D-01 -0.982064D+01
      4  -0.377458D+00  0.487646D+01 -0.289035D-01  0.241091D+01 -0.132277D+02
      5   0.529044D+00  0.444304D+00  0.986190D+00  0.223708D+00  0.386857D+01
      6  -0.140786D+01 -0.288846D+01  0.220612D+01 -0.104810D+01 -0.917126D+01
               141           142           143           144           145 
      1   0.559844D+01  0.171062D+01  0.672800D+01 -0.188721D+01 -0.574352D+01
      2  -0.504703D+01 -0.136698D+01 -0.684322D+01  0.233909D+01  0.957803D+01
      3  -0.551410D+00 -0.343638D+00  0.115222D+00 -0.451882D+00 -0.383451D+01
      4   0.180276D+01  0.211799D+00  0.121411D+01  0.165104D+01  0.785629D+01
      5  -0.182384D+01  0.150203D+01  0.454686D+00 -0.279562D+00  0.112055D+00
      6   0.723817D+01  0.333646D+00  0.316275D+01 -0.175422D+01 -0.105904D+01
               146           147           148           149           150 
      1  -0.108462D+02  0.197526D+01 -0.820337D+01 -0.524619D+02  0.566536D+01
      2   0.165875D+02 -0.203955D+01  0.114335D+02  0.749943D+02 -0.667023D+01
      3  -0.574129D+01  0.642844D-01 -0.323014D+01 -0.225324D+02  0.100487D+01
      4   0.160780D+02 -0.161052D+01  0.961848D+01  0.210956D+02 -0.182571D+01
      5  -0.995085D-01  0.210739D+01 -0.224268D+00  0.113871D+01  0.114348D+01
      6  -0.218571D+01  0.270329D+01 -0.900910D+00 -0.595059D+01  0.817327D+01
               151           152           153           154           155 
      1   0.141476D+01  0.711377D+01 -0.181950D+01  0.238773D+01  0.523985D+01
      2  -0.199803D+01 -0.904785D+01  0.268018D+01  0.103497D+02 -0.159275D+02
      3   0.583263D+00  0.193408D+01 -0.860684D+00 -0.127374D+02  0.106877D+02
      4  -0.122326D+01 -0.358691D+01  0.211393D+01 -0.288293D+02  0.253425D+02
      5  -0.764881D-01  0.192336D+01 -0.875405D+00 -0.148970D+01  0.423145D+00
      6  -0.407865D+00  0.336356D+01 -0.185791D+01  0.247307D+01 -0.208862D+01
               156           157           158           159           160 
      1   0.153686D+00  0.948712D+01 -0.194992D+02 -0.317196D-01 -0.197803D+01
      2  -0.423957D-02 -0.222515D+02  0.365200D+02 -0.222395D-01  0.216436D+01
      3  -0.149446D+00  0.127644D+02 -0.170208D+02  0.539592D-01 -0.186330D+00
      4   0.563561D+00  0.279919D+02 -0.342787D+02  0.278794D+00 -0.451493D+00
      5   0.349200D+01 -0.760162D+00  0.328858D+00 -0.355622D+01 -0.739421D-01
      6  -0.341851D+01 -0.866660D+00  0.214495D+01  0.545646D+01  0.163464D+01
               161           162           163           164           165 
      1   0.155130D+01 -0.996655D-01  0.530492D+01  0.940004D+00  0.359368D+00
      2  -0.212937D+01  0.156768D+01 -0.237960D+01  0.207189D+00  0.237639D+00
      3   0.578064D+00 -0.146802D+01 -0.292533D+01 -0.114719D+01 -0.597007D+00
      4   0.124440D+01 -0.208192D+01  0.810228D+01  0.869451D+01 -0.746934D+00
      5  -0.188562D+01  0.535064D+00 -0.611817D+00 -0.119870D+01  0.298003D+01
      6   0.257338D+01 -0.848293D+00 -0.118826D+01 -0.110203D+01  0.129360D+01
               166           167           168           169           170 
      1  -0.326124D+01 -0.160239D+02  0.260322D+01  0.166855D+01  0.155537D+01
      2   0.523440D+01  0.192200D+02 -0.119357D+01 -0.706463D+00 -0.129977D+01
      3  -0.197317D+01 -0.319611D+01 -0.140965D+01 -0.962088D+00 -0.255610D+00
      4   0.119944D+02  0.168439D+02 -0.190855D+01 -0.297992D+00 -0.142559D+01
      5  -0.193552D+01 -0.142644D+01  0.344125D+01  0.378609D+01  0.994872D+00
      6  -0.279077D+01 -0.613810D+01  0.532895D+01  0.268091D+01  0.285655D+01
               171           172           173           174           175 
      1  -0.182229D+01  0.154269D+02 -0.134941D+02 -0.810494D+00 -0.182182D+02
      2   0.218525D+01 -0.264686D+01  0.398561D+01  0.840442D+00  0.508947D+01
      3  -0.362957D+00 -0.127801D+02  0.950849D+01 -0.299482D-01  0.131287D+02
      4   0.225194D+01 -0.232996D+02  0.196093D+02  0.275102D+01  0.252615D+02
      5   0.102073D+00 -0.385353D+01  0.368231D+01  0.838197D+01  0.620839D+01
      6  -0.101685D+01  0.413714D+01 -0.281300D+01 -0.612392D+00 -0.402947D+01
               176           177           178           179           180 
      1   0.599538D+01  0.570441D+00  0.529431D-01  0.119015D+01  0.336697D+01
      2   0.981483D+01  0.120255D+00  0.961901D+00 -0.129935D+01 -0.157935D+01
      3  -0.158102D+02 -0.690696D+00 -0.101484D+01  0.109202D+00 -0.178762D+01
      4  -0.427056D+02 -0.398162D+01  0.387603D+01 -0.324865D+01 -0.562561D+01
      5  -0.509365D+01 -0.769452D+01  0.115443D+02 -0.503495D+01 -0.309643D+01
      6   0.863718D+01  0.420642D+01 -0.201246D+01  0.578664D+01  0.210102D+01
               181           182           183           184           185 
      1  -0.884575D+02 -0.153223D+02  0.317981D+02 -0.951852D+01  0.232876D+02
      2   0.480952D+02  0.141718D+02 -0.448459D+01  0.419575D+01 -0.167402D+02
      3   0.403624D+02  0.115049D+01 -0.273135D+02  0.532277D+01 -0.654739D+01
      4  -0.179073D+02  0.130932D+02  0.625907D+01  0.190387D+02 -0.177862D+02
      5   0.426187D+02  0.824574D+01  0.125289D+02 -0.141539D+01 -0.563742D+01
      6   0.409879D+01 -0.831151D+01 -0.834805D+00 -0.943522D+01  0.105460D+02
               186           187           188           189           190 
      1   0.172598D+02  0.122003D+02  0.128829D+02  0.243106D+02 -0.162455D+02
      2   0.962344D+01  0.740555D+01  0.511819D+01 -0.176546D+01  0.180053D+02
      3  -0.268832D+02 -0.196058D+02 -0.180011D+02 -0.225451D+02 -0.175978D+01
      4   0.873019D+00 -0.527046D+01  0.129098D+01  0.275749D+02  0.163228D+02
      5   0.326655D+02  0.286796D+02  0.212248D+02 -0.776164D+01 -0.271054D+02
      6   0.223689D+01  0.586316D+01  0.169432D+01 -0.180694D+02  0.525172D+01
               191           192           193           194           195 
      1   0.679353D+01 -0.107214D+02  0.241867D+02  0.186197D+01  0.123773D+02
      2  -0.493489D+01  0.154876D+02 -0.261675D+02 -0.565392D+01 -0.156100D+02
      3  -0.185864D+01 -0.476623D+01  0.198078D+01  0.379196D+01  0.323267D+01
      4   0.897032D+00  0.926399D+01  0.189079D+01 -0.506517D+01 -0.333724D+01
      5   0.977628D+01 -0.115985D+02  0.205858D+02 -0.552996D+01  0.348276D+02
      6  -0.493830D+01  0.589175D+01  0.560818D+00  0.578220D+00 -0.231886D+01
               196           197           198           199           200 
      1  -0.282445D+02  0.103080D+02 -0.561343D+01  0.195498D+03  0.236069D+02
      2   0.227292D+02 -0.104194D+02  0.166601D+02 -0.104009D+03 -0.133330D+02
      3   0.551525D+01  0.111364D+00 -0.110467D+02 -0.914888D+02 -0.102739D+02
      4   0.191839D+02 -0.170384D+02  0.265581D+02  0.227918D+02  0.167516D+02
      5  -0.141509D+02  0.247383D+02 -0.177356D+02 -0.208556D+02 -0.273384D+01
      6   0.964450D+01 -0.537373D+01  0.113438D+02 -0.297985D+00 -0.692902D+00
               201           202           203           204           205 
      1  -0.165588D+02  0.639052D+02  0.225937D+02 -0.634414D+01 -0.205570D+02
      2   0.100181D+02 -0.345004D+02 -0.116294D+02  0.396750D+01  0.126333D+02
      3   0.654069D+01 -0.294048D+02 -0.109644D+02  0.237664D+01  0.792368D+01
      4  -0.234877D+01  0.270988D+02  0.180066D+02 -0.388969D+01 -0.321932D+01
      5   0.190805D+02 -0.740169D+01 -0.409483D+01  0.488629D+01  0.267691D+02
      6  -0.391804D+00 -0.121359D+01 -0.673286D+00  0.201023D+01 -0.323392D+00
               206           207           208           209           210 
      1  -0.367834D+01  0.185481D+02  0.145178D+01 -0.527846D+01 -0.135849D+02
      2   0.235451D+01 -0.111327D+02 -0.102188D+01  0.282399D+01  0.591188D+01
      3   0.132383D+01 -0.741544D+01 -0.429904D+00  0.245447D+01  0.767301D+01
      4  -0.346139D+01 -0.969736D+00 -0.222375D+01 -0.808027D+00  0.152410D+01
      5  -0.106509D+01 -0.597319D+01 -0.109190D+02  0.711194D+00 -0.279768D+01
      6   0.281149D+01 -0.738399D-01  0.295233D+01  0.937528D+00  0.210349D+01
               211           212           213           214           215 
      1  -0.136918D+02  0.195855D+00 -0.197368D+01 -0.286233D+02  0.225032D-01
      2   0.559652D+01  0.621896D+01  0.250109D+01  0.158538D+02  0.536173D+00
      3   0.809525D+01 -0.641482D+01 -0.527418D+00  0.127695D+02 -0.558676D+00
      4   0.261105D+02 -0.425523D+02 -0.284760D+02  0.183882D+02 -0.284894D+02
      5   0.148085D+02 -0.287092D+02 -0.359906D+02  0.285595D+02 -0.347800D+02
      6  -0.680074D+01  0.138244D+02  0.143805D+02 -0.910380D+01  0.144617D+02
               216           217           218           219           220 
      1  -0.152053D+01  0.163100D+02 -0.554725D+01  0.148880D+02 -0.131374D+02
      2  -0.545383D+01 -0.836657D+01  0.240481D+01 -0.693987D+01  0.472448D+01
      3   0.697436D+01 -0.794346D+01  0.314244D+01 -0.794810D+01  0.841292D+01
      4  -0.327785D+02 -0.605485D+01  0.328114D+01 -0.734792D+01  0.246693D+02
      5  -0.474712D+02  0.171345D+02 -0.676357D+01  0.459900D+01 -0.172446D+02
      6   0.158344D+02 -0.407665D+01  0.135574D+01  0.141456D+00  0.463241D+01
               221           222           223           224           225 
      1   0.721431D+01 -0.746034D+01  0.421979D+02 -0.109798D+02  0.102867D+02
      2   0.108912D+01  0.100328D+01 -0.230409D+02  0.373724D+01 -0.998129D+01
      3  -0.830343D+01  0.645706D+01 -0.191571D+02  0.724253D+01 -0.305438D+00
      4  -0.295959D+02  0.202737D+02 -0.243839D+02  0.247482D+02 -0.299359D+02
      5   0.213086D+02 -0.311006D+02  0.380310D+02 -0.326136D+02  0.637226D+02
      6  -0.677035D+01  0.103802D+02 -0.911103D+01  0.108220D+02 -0.136394D+02
               226           227           228           229           230 
      1  -0.117864D+01 -0.373711D+01 -0.195921D+02 -0.598355D+01 -0.113728D+02
      2  -0.364747D+01 -0.547493D+00 -0.924789D+00  0.385028D+01  0.961729D+00
      3   0.482611D+01  0.428460D+01  0.205169D+02  0.213327D+01  0.104111D+02
      4  -0.198739D+01 -0.386317D+01 -0.297605D+01 -0.200755D+01 -0.768212D+01
      5  -0.558875D+01 -0.493508D+00 -0.714197D+01  0.561675D+01 -0.781897D+01
      6   0.180665D+01  0.361095D+01  0.161791D+01  0.130488D+01  0.689969D+01
               231           232           233           234           235 
      1  -0.133555D+02 -0.114221D+02 -0.908862D+01 -0.366276D+02 -0.175652D+00
      2  -0.743878D+01  0.456840D+01 -0.408508D+01 -0.192819D+02  0.275829D+01
      3   0.207943D+02  0.685371D+01  0.131737D+02  0.559094D+02 -0.258264D+01
      4  -0.109659D+02 -0.126606D+01 -0.905676D+01 -0.135751D+02  0.446869D+01
      5  -0.221003D+02  0.667877D+01 -0.992938D+01 -0.446002D+02  0.592456D+00
      6   0.100463D+02  0.697395D+00  0.831429D+01  0.823489D+01 -0.300020D+01
               236           237           238           239           240 
      1   0.106274D+02 -0.586926D+01  0.125914D+02 -0.211142D+02  0.420755D+01
      2  -0.803176D+01 -0.349628D+00 -0.784820D+01  0.228194D+02 -0.493655D+00
      3  -0.259567D+01  0.621889D+01 -0.474315D+01 -0.170524D+01 -0.371389D+01
      4  -0.558461D+01  0.119313D+01  0.360292D+01  0.341077D+02 -0.730087D+01
      5  -0.148575D+01 -0.474639D+01 -0.826138D+01 -0.301568D+01  0.891525D+01
      6   0.563755D+01 -0.253697D+01  0.543343D+00 -0.222053D+02  0.888100D+01
               241           242           243           244           245 
      1   0.543465D+00  0.248305D+01 -0.834683D+01  0.121888D+03  0.114145D+02
      2  -0.211584D+01 -0.762481D+00  0.357291D+01 -0.704066D+02 -0.580006D+01
      3   0.157237D+01 -0.172057D+01  0.477393D+01 -0.514811D+02 -0.561444D+01
      4   0.108219D+01 -0.169261D+01  0.239795D+01  0.260942D+02  0.149272D+02
      5  -0.293428D+01  0.243730D+01  0.210802D+01 -0.685334D+02 -0.841859D+01
      6  -0.865481D+00  0.539818D+01 -0.135432D+01 -0.637323D+01 -0.514018D+01
               246           247           248           249           250 
      1  -0.239697D+02  0.811891D+01  0.857698D+01 -0.292664D+01 -0.806216D+01
      2   0.200327D+02 -0.347941D+01 -0.337838D+01  0.301353D+00  0.979425D+01
      3   0.393698D+01 -0.463949D+01 -0.519860D+01  0.262528D+01 -0.173210D+01
      4  -0.696656D+01  0.172439D+02  0.732802D+01 -0.494056D+01 -0.213085D+01
      5   0.313418D+02 -0.529017D+01 -0.675960D+01  0.357377D-02  0.217436D+02
      6   0.396185D+01 -0.559850D+01 -0.309240D+01  0.320791D+01  0.272541D+01
               251           252           253           254           255 
      1  -0.182180D+01  0.958535D+01  0.699709D+02 -0.223062D+02  0.318795D+02
      2   0.338286D+00 -0.102609D+02 -0.450910D+02  0.132495D+02 -0.236576D+02
      3   0.148352D+01  0.675526D+00 -0.248799D+02  0.905666D+01 -0.822196D+01
      4  -0.191287D+01  0.609663D+00 -0.259829D+02  0.196789D+02 -0.883255D+01
      5   0.116288D+01 -0.126586D+02  0.525226D+02 -0.126811D+02  0.366770D+02
      6   0.186478D+01 -0.241887D+00 -0.758231D+01  0.665947D+01 -0.419504D+01
               256           257           258           259           260 
      1  -0.338460D+02  0.123965D+02 -0.672399D+01  0.391739D+02 -0.562635D+01
      2   0.237217D+02 -0.812193D+01  0.123513D+02 -0.362068D+02  0.112309D+02
      3   0.101243D+02 -0.427454D+01 -0.562732D+01 -0.296707D+01 -0.560456D+01
      4   0.259489D+02 -0.343267D+02  0.233430D+02 -0.150041D+02  0.255360D+02
      5  -0.255110D+02  0.236139D+02 -0.298217D+02  0.614028D+02 -0.254311D+02
      6   0.101343D+02 -0.135941D+02  0.142499D+02 -0.528607D+01  0.151244D+02
               261           262           263           264           265 
      1   0.127411D+02 -0.424901D+01  0.110808D+02  0.573679D-01  0.839432D+01
      2  -0.386385D+02  0.611587D+01 -0.486477D+01  0.338338D+00 -0.356705D-01
      3   0.258974D+02 -0.186686D+01 -0.621600D+01 -0.395706D+00 -0.835865D+01
      4  -0.246647D+02  0.108324D+01 -0.102170D+01 -0.108549D+02  0.110298D+02
      5   0.710563D+02 -0.972740D+01 -0.713339D+01 -0.995008D+01 -0.675794D+01
      6  -0.128848D+02 -0.244567D+01 -0.547599D+01 -0.772409D+01 -0.441378D+01
               266           267           268           269           270 
      1  -0.107905D+02 -0.472141D+01 -0.834901D+01 -0.540880D+01 -0.769622D+01
      2   0.276596D+02  0.403937D+01  0.428118D+01  0.123743D+01  0.623774D+01
      3  -0.168691D+02  0.682039D+00  0.406783D+01  0.417137D+01  0.145848D+01
      4   0.320394D+02 -0.836060D+01 -0.194813D+02 -0.209554D+02 -0.154184D+02
      5  -0.835701D+01 -0.810749D+01 -0.171986D+02 -0.138907D+02 -0.341820D+02
      6   0.521121D+01  0.897780D+00 -0.114969D+02 -0.500442D+01 -0.153350D+02
               271           272           273           274           275 
      1   0.849557D+01  0.621344D+01  0.697375D+01  0.370832D+01 -0.200752D+01
      2  -0.425279D+01 -0.267897D+01 -0.424415D+01  0.256852D+00  0.497685D+01
      3  -0.424278D+01 -0.353447D+01 -0.272960D+01 -0.396517D+01 -0.296933D+01
      4   0.151702D+02  0.134163D+02  0.117832D+02  0.124079D+02  0.197081D+02
      5   0.137434D+02  0.103923D+02  0.149288D+02  0.798852D+01  0.114821D+02
      6   0.769593D+01  0.576382D+01  0.670610D+01  0.582485D+01  0.105855D+02
               276           277           278           279 
      1  -0.129999D+01  0.717018D+01 -0.149987D+01 -0.173266D+01
      2   0.238306D+01 -0.612044D+01  0.132022D+00 -0.593803D+01
      3  -0.108307D+01 -0.104974D+01  0.136785D+01  0.767068D+01
      4   0.123102D+02  0.197107D+02  0.257121D+02  0.267824D+02
      5   0.125835D+02  0.245961D+02  0.243274D+02  0.388261D+02
      6   0.940171D+01  0.126664D+02  0.172135D+02  0.220313D+02
 Leave Link  716 at Thu Sep 23 19:44:48 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.292286D+03 -0.192868D+02 -0.804738D+01
      2  -0.192868D+02  0.182626D+03 -0.507257D+01
      3  -0.804738D+01 -0.507257D+01  0.123916D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.116997D+02  0.209767D+02  0.299655D+01
      2  -0.798507D+02 -0.165018D+01 -0.230156D+02
      3   0.101894D+03 -0.448302D+02 -0.566322D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.425177D+03 -0.109837D+03 -0.896287D+02
      2  -0.183398D+03  0.924300D+02  0.677682D+01
      3  -0.241779D+03  0.174069D+02  0.828518D+02
      4  -0.584199D+02  0.900746D+02 -0.360932D+01
      5  -0.612210D+01  0.232268D+01 -0.801176D+02
      6  -0.305265D+01  0.219773D+02 -0.199469D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.413416D+02 -0.801653D+01 -0.146559D+01 -0.414713D+01  0.227335D+01
      2  -0.801653D+01  0.100179D+02  0.242106D-02  0.227335D+01 -0.136089D+02
      3  -0.146559D+01  0.242106D-02  0.442408D+01  0.683122D+00  0.147978D+01
                 6             7             8             9            10 
      1   0.683122D+00 -0.217105D+01  0.117591D+01  0.709373D+01  0.567242D+01
      2   0.147978D+01  0.117591D+01  0.156282D+00 -0.132974D+01  0.200874D+01
      3  -0.238760D+00  0.709373D+01 -0.132974D+01 -0.134899D+01 -0.206504D+00
                11            12            13            14            15 
      1   0.200874D+01 -0.206504D+00 -0.135304D+02  0.397433D+01  0.939262D+00
      2   0.958895D+01 -0.140223D+01  0.397433D+01  0.406326D+01 -0.146346D+01
      3  -0.140223D+01  0.278587D+01  0.939262D+00 -0.146346D+01 -0.181248D+01
                16            17            18            19            20 
      1   0.152900D+01 -0.491567D+00  0.384186D+01 -0.368917D+02  0.114307D+02
      2  -0.491567D+00 -0.201607D+01 -0.266024D+01  0.114307D+02 -0.886893D+01
      3   0.384186D+01 -0.266024D+01 -0.324869D+00  0.162769D+01  0.619041D+00
                21            22            23            24            25 
      1   0.162769D+01  0.196734D+02 -0.554762D+01 -0.696906D+00  0.178455D+01
      2   0.619041D+00 -0.554762D+01  0.731570D+01  0.411591D+00 -0.300928D-01
      3  -0.556160D+00 -0.696906D+00  0.411591D+00  0.289528D+01  0.382847D+00
                26            27            28            29            30 
      1  -0.300928D-01  0.382847D+00  0.360378D+02 -0.982683D+01 -0.150033D+01
      2   0.111956D+01  0.443183D+01 -0.982683D+01  0.289246D+01  0.305020D+00
      3   0.443183D+01 -0.127651D+01 -0.150033D+01  0.305020D+00 -0.630241D-01
                31            32            33            34            35 
      1   0.450612D+02 -0.930544D+01 -0.305187D+01 -0.815491D+01  0.214819D+01
      2  -0.930544D+01  0.909432D+01  0.261682D+00  0.214819D+01 -0.102577D+01
      3  -0.305187D+01  0.261682D+00 -0.239892D+00  0.120754D+01  0.925139D+00
                36            37            38            39            40 
      1   0.120754D+01 -0.392521D+02  0.107507D+02  0.151793D+01 -0.414148D+02
      2   0.925139D+00  0.107507D+02 -0.734935D+01 -0.521085D+00  0.805667D+01
      3  -0.115557D+00  0.151793D+01 -0.521085D+00  0.145757D+00  0.278320D+01
                41            42            43            44            45 
      1   0.805667D+01  0.278320D+01  0.818838D+01 -0.201537D+01 -0.141686D+01
      2  -0.655145D+01 -0.119448D+00 -0.201537D+01  0.125450D+01 -0.827901D+00
      3  -0.119448D+00  0.937813D-01 -0.141686D+01 -0.827901D+00  0.247663D+00
                46            47            48            49            50 
      1  -0.657238D+01 -0.250794D+01  0.879919D+00 -0.101802D+01  0.351543D+01
      2  -0.250794D+01 -0.518046D+01  0.243802D+00  0.351543D+01 -0.254561D+01
      3   0.879919D+00  0.243802D+00 -0.257800D+01 -0.754436D+00 -0.725851D+00
                51            52            53            54            55 
      1  -0.754436D+00  0.671043D+00 -0.579433D+00 -0.680814D+00  0.123833D+02
      2  -0.725851D+00 -0.579433D+00 -0.771875D-01 -0.403234D+01  0.743336D+00
      3  -0.148833D+01 -0.680814D+00 -0.403234D+01  0.146040D+01 -0.157471D+01
                56            57            58            59            60 
      1   0.743336D+00 -0.157471D+01 -0.603735D+00 -0.268767D+01  0.773960D+00
      2   0.989513D+01  0.174921D+00 -0.268767D+01 -0.905040D-02  0.801456D+00
      3   0.174921D+00  0.232905D+01  0.773960D+00  0.801456D+00  0.166864D+01
                61            62            63            64            65 
      1  -0.904209D+00  0.814281D+00  0.121849D+01 -0.707746D+01 -0.189636D+01
      2   0.814281D+00  0.522333D-01  0.438670D+01 -0.189636D+01 -0.135840D+02
      3   0.121849D+01  0.438670D+01 -0.151609D+01  0.368603D+00  0.114348D+01
                66            67            68            69            70 
      1   0.368603D+00  0.842037D+01 -0.138993D+01 -0.502232D+00 -0.258323D+01
      2   0.114348D+01 -0.138993D+01 -0.756358D+01  0.127478D+01  0.585453D-01
      3  -0.298373D+01 -0.502232D+00  0.127478D+01  0.135030D+01 -0.543404D+01
                71            72            73            74            75 
      1   0.585453D-01 -0.543404D+01 -0.440831D+02  0.573507D+01  0.198014D+01
      2   0.297108D+01  0.257837D+01  0.573507D+01 -0.465373D+01  0.191870D+00
      3   0.257837D+01  0.841861D+00  0.198014D+01  0.191870D+00 -0.164474D+01
                76            77            78            79            80 
      1   0.923053D+01 -0.273837D+01 -0.118943D+01  0.675986D+00 -0.100153D+01
      2  -0.273837D+01  0.172807D+02 -0.131361D+01 -0.100153D+01 -0.896430D+00
      3  -0.118943D+01 -0.131361D+01 -0.423982D+00 -0.581404D+01  0.751596D+00
                81            82            83            84            85 
      1  -0.581404D+01  0.413510D+02 -0.110779D+02 -0.163668D+01 -0.202964D+02
      2   0.751596D+00 -0.110779D+02  0.112125D+02 -0.481001D+00  0.305293D+01
      3   0.107859D+01 -0.163668D+01 -0.481001D+00  0.231112D+00  0.587587D+00
                86            87            88            89            90 
      1   0.305293D+01  0.587587D+00 -0.287673D+01  0.312366D+00 -0.272602D+00
      2  -0.701278D+01  0.111832D+00  0.312366D+00 -0.892306D+00 -0.318042D+01
      3   0.111832D+00 -0.192330D+01 -0.272602D+00 -0.318042D+01  0.130455D+01
                91            92            93            94            95 
      1   0.681540D+01 -0.187110D+01 -0.792083D+00  0.472123D+01  0.237746D+01
      2  -0.187110D+01  0.192571D+01  0.162377D+00  0.237746D+01 -0.304657D+01
      3  -0.792083D+00  0.162377D+00  0.210617D+01 -0.606975D+00 -0.506051D+00
                96            97            98            99           100 
      1  -0.606975D+00  0.404147D+01  0.370261D+00  0.680400D+01 -0.125831D+02
      2  -0.506051D+00  0.370261D+00  0.910456D-01  0.246600D+01  0.517169D+01
      3   0.350720D+01  0.680400D+01  0.246600D+01 -0.475529D+00  0.359543D+00
               101           102           103           104           105 
      1   0.517169D+01  0.359543D+00 -0.129623D+01  0.292591D+01 -0.358662D+00
      2  -0.446905D+01 -0.829212D-01  0.292591D+01  0.998147D+00 -0.469346D+00
      3  -0.829212D-01 -0.510699D+00 -0.358662D+00 -0.469346D+00 -0.133290D+01
               106           107           108           109           110 
      1   0.121648D+01 -0.758392D+00 -0.148444D+00 -0.146924D+01 -0.439834D+01
      2  -0.758392D+00  0.443969D+00  0.669936D+00 -0.439834D+01  0.163827D+01
      3  -0.148444D+00  0.669936D+00 -0.302576D-01  0.349798D+00  0.802116D+00
               111           112           113           114           115 
      1   0.349798D+00 -0.497983D+01 -0.160152D+01  0.109598D+01  0.254085D+00
      2   0.802116D+00 -0.160152D+01  0.183865D+01  0.106035D+01  0.931003D+00
      3  -0.186753D+00  0.109598D+01  0.106035D+01  0.630240D+01 -0.226425D+01
               116           117           118           119           120 
      1   0.931003D+00 -0.226425D+01  0.621210D+01 -0.335640D+01 -0.273554D+00
      2   0.651225D+00  0.475618D+01 -0.335640D+01  0.287757D+01  0.290849D-01
      3   0.475618D+01 -0.125289D+01 -0.273554D+00  0.290849D-01  0.281183D+00
               121           122           123           124           125 
      1  -0.459282D+01  0.458603D+01 -0.147822D+00 -0.274793D+00 -0.202873D+00
      2   0.458603D+01 -0.559120D+01  0.944155D-01 -0.202873D+00  0.280979D+00
      3  -0.147822D+00  0.944155D-01 -0.522571D+00 -0.413224D+00 -0.687612D-01
               126           127           128           129           130 
      1  -0.413224D+00  0.175135D+01  0.284929D+01 -0.386426D+00  0.329007D+01
      2  -0.687612D-01  0.284929D+01  0.217340D+01 -0.441376D+00  0.366867D+01
      3   0.126671D+00 -0.386426D+00 -0.441376D+00  0.456652D+00 -0.558361D+00
               131           132           133           134           135 
      1   0.366867D+01 -0.558361D+00 -0.490940D+00 -0.648848D+00  0.335469D+00
      2   0.771062D+01 -0.997656D+00 -0.648848D+00 -0.103543D+01  0.173270D+00
      3  -0.997656D+00  0.967932D+00  0.335469D+00  0.173270D+00 -0.191312D+00
               136           137           138           139           140 
      1  -0.882030D+00 -0.164272D+01  0.254199D+00 -0.460397D+00 -0.130898D+01
      2  -0.164272D+01 -0.233579D+01  0.399053D+00 -0.130898D+01 -0.928648D+01
      3   0.254199D+00  0.399053D+00 -0.255354D+00  0.131044D+00  0.103136D+01
               141           142           143           144           145 
      1   0.131044D+00  0.183264D+00  0.342964D+00  0.604216D-01  0.119316D+01
      2   0.103136D+01  0.342964D+00  0.121856D+01 -0.209632D+00  0.180115D+01
      3  -0.879968D+00  0.604216D-01 -0.209632D+00  0.156190D+00 -0.280577D+00
               146           147           148           149           150 
      1   0.180115D+01 -0.280577D+00  0.751801D+00  0.184380D+01 -0.165643D+00
      2   0.273325D+01 -0.423510D+00  0.184380D+01  0.106225D+02 -0.109877D+01
      3  -0.423510D+00  0.273772D+00 -0.165643D+00 -0.109877D+01  0.921775D+00
               151           152           153           154           155 
      1   0.117786D+00 -0.453984D+00  0.750393D-01 -0.584964D+01  0.360002D+01
      2  -0.453984D+00 -0.139348D+01  0.214457D+00  0.360002D+01 -0.363609D+01
      3   0.750393D-01  0.214457D+00 -0.132344D+00  0.268701D+00 -0.683894D-01
               156           157           158           159           160 
      1   0.268701D+00  0.372833D+01 -0.464437D+01  0.198036D+00  0.147552D+00
      2  -0.683894D-01 -0.464437D+01  0.629012D+01 -0.177035D-01  0.290161D+00
      3  -0.421041D+00  0.198036D+00 -0.177035D-01  0.676127D+00  0.392359D+00
               161           162           163           164           165 
      1   0.290161D+00  0.392359D+00 -0.250601D+01 -0.245268D+01  0.202942D+00
      2  -0.320291D+00  0.268103D+00 -0.245268D+01 -0.958803D+00  0.196657D+00
      3   0.268103D+00 -0.202500D+00  0.202942D+00  0.196657D+00 -0.430726D+00
               166           167           168           169           170 
      1  -0.313807D+01 -0.292842D+01  0.469347D+00 -0.172591D+00  0.274776D+00
      2  -0.292842D+01 -0.572246D+01  0.744648D+00  0.274776D+00  0.391041D+00
      3   0.469347D+00  0.744648D+00 -0.928082D+00 -0.508531D+00 -0.323736D+00
               171           172           173           174           175 
      1  -0.508531D+00 -0.178112D+01  0.234807D+01  0.195311D+00  0.428958D+01
      2  -0.323736D+00  0.234807D+01 -0.167216D+01 -0.266606D+00 -0.240035D+01
      3   0.185056D-01  0.195311D+00 -0.266606D+00 -0.902964D+00 -0.564100D+00
               176           177           178           179           180 
      1  -0.240035D+01 -0.564100D+00 -0.176481D+00 -0.333932D+00 -0.133564D+01
      2   0.515814D+01  0.431784D+00 -0.333932D+00  0.362091D+00  0.646815D+00
      3   0.431784D+00  0.949040D+00 -0.133564D+01  0.646815D+00  0.344161D+00
               181           182           183           184           185 
      1   0.107128D+02  0.145330D+01 -0.184163D+01 -0.180486D+01 -0.208747D+01
      2   0.145330D+01 -0.142274D+01 -0.528033D+00 -0.208747D+01  0.257464D+01
      3  -0.184163D+01 -0.528033D+00 -0.295271D+01  0.717688D+00 -0.288460D+00
               186           187           188           189           190 
      1   0.717688D+00  0.270268D+01  0.402077D+00 -0.423502D+01  0.302945D+01
      2  -0.288460D+00  0.402077D+00  0.805437D-01 -0.335032D+01 -0.984670D+00
      3  -0.507387D+01 -0.423502D+01 -0.335032D+01 -0.538952D+00  0.213290D+01
               191           192           193           194           195 
      1  -0.984670D+00  0.213290D+01 -0.373487D+01 -0.486238D+00 -0.195674D+01
      2  -0.511531D+00 -0.111242D+01 -0.486238D+00 -0.963807D-01  0.574175D+00
      3  -0.111242D+01  0.922427D+00 -0.195674D+01  0.574175D+00 -0.419116D+01
               196           197           198           199           200 
      1   0.292395D+01 -0.145906D+01  0.343725D+00  0.146769D+02  0.190999D+01
      2  -0.145906D+01 -0.272882D+00 -0.270986D+01  0.190999D+01  0.100904D+01
      3   0.343725D+00 -0.270986D+01  0.272341D+00 -0.134495D+01 -0.201997D+00
               201           202           203           204           205 
      1  -0.134495D+01  0.540913D+01  0.180704D+01 -0.537814D+00 -0.172578D+01
      2  -0.201997D+00  0.180704D+01  0.140585D+01 -0.306798D+00 -0.265737D+00
      3   0.121594D+01 -0.537814D+00 -0.306798D+00  0.304999D+00  0.184880D+01
               206           207           208           209           210 
      1  -0.265737D+00  0.184880D+01 -0.556473D+00 -0.756272D-01 -0.887723D+00
      2  -0.282327D+00 -0.166526D+00 -0.756272D-01 -0.518494D+00 -0.111621D+00
      3  -0.166526D+00 -0.425342D+00 -0.887723D+00 -0.111621D+00 -0.578584D+00
               211           212           213           214           215 
      1  -0.159658D+01  0.193326D+01  0.118870D+01 -0.326371D+01  0.145410D+01
      2   0.193326D+01 -0.379303D+01 -0.268888D+01  0.145410D+01 -0.265607D+01
      3   0.118870D+01 -0.268888D+01 -0.316499D+01  0.229428D+01 -0.321206D+01
               216           217           218           219           220 
      1   0.229428D+01  0.757193D+00 -0.276671D+00  0.145043D+01 -0.133544D+01
      2  -0.321206D+01 -0.276671D+00 -0.857804D-01 -0.464841D+00  0.179465D+01
      3  -0.453628D+01  0.145043D+01 -0.464841D+00  0.100945D+00 -0.133071D+01
               221           222           223           224           225 
      1   0.179465D+01 -0.133071D+01  0.463849D+01 -0.189166D+01  0.295299D+01
      2  -0.244615D+01  0.179209D+01 -0.189166D+01  0.212347D+01 -0.279283D+01
      3   0.179209D+01 -0.256258D+01  0.295299D+01 -0.279283D+01  0.548405D+01
               226           227           228           229           230 
      1   0.377879D-01  0.466677D+00  0.113237D+01  0.142307D+01  0.412775D+00
      2   0.466677D+00  0.597455D+00  0.412367D+00  0.412775D+00  0.109539D+01
      3   0.113237D+01  0.412367D+00  0.243448D+01 -0.290216D+00  0.161497D+01
               231           232           233           234           235 
      1  -0.290216D+00  0.113759D+01  0.178774D+00  0.313504D+00  0.249864D+00
      2   0.161497D+01  0.178774D+00  0.132398D+01  0.181473D+01 -0.742532D+00
      3   0.356361D+01  0.313504D+00  0.181473D+01  0.782274D+01 -0.100780D+00
               236           237           238           239           240 
      1  -0.742532D+00 -0.100780D+00 -0.212035D+01  0.545709D-01  0.400513D+00
      2   0.107591D+01 -0.296236D+00  0.545709D-01 -0.527562D+01  0.111418D+01
      3  -0.296236D+00  0.103875D+01  0.400513D+00  0.111418D+01 -0.138746D+01
               241           242           243           244           245 
      1  -0.621248D+00 -0.201566D+00  0.596494D+00 -0.156090D+02 -0.192950D+01
      2  -0.201566D+00  0.398945D+00 -0.515317D+00 -0.192950D+01 -0.103146D+01
      3   0.596494D+00 -0.515317D+00  0.768671D-01  0.398553D+01  0.598375D+00
               246           247           248           249           250 
      1   0.398553D+01 -0.165237D+01 -0.141446D+01  0.319732D+00  0.135707D+01
      2   0.598375D+00 -0.141446D+01 -0.611927D+00  0.502569D+00  0.195903D+00
      3  -0.237204D+01  0.319732D+00  0.502569D+00  0.253865D+00 -0.160993D+01
               251           252           253           254           255 
      1   0.195903D+00 -0.160993D+01 -0.808588D+01  0.261990D+01 -0.417203D+01
      2  -0.175423D-01  0.553369D-01  0.261990D+01 -0.117960D+01  0.926997D+00
      3   0.553369D-01  0.100010D+01 -0.417203D+01  0.926997D+00 -0.263840D+01
               256           257           258           259           260 
      1   0.611062D+01 -0.206790D+01  0.227703D+01 -0.809785D+01  0.121850D+01
      2  -0.206790D+01  0.386851D+01 -0.249655D+01  0.121850D+01 -0.173362D+01
      3   0.227703D+01 -0.249655D+01  0.334878D+01 -0.549938D+01  0.275911D+01
               261           262           263           264           265 
      1  -0.549938D+01  0.236842D+01 -0.433592D+00  0.111227D+01 -0.340424D+01
      2   0.275911D+01 -0.433592D+00  0.114221D+01  0.120981D+01 -0.428468D+00
      3  -0.734024D+01  0.111227D+01  0.120981D+01  0.181805D+01  0.102173D+01
               266           267           268           269           270 
      1  -0.428468D+00  0.102173D+01  0.237176D+01  0.212453D+01  0.260413D+01
      2  -0.361321D+01  0.675531D+00  0.212453D+01  0.280115D+01  0.157759D+01
      3   0.675531D+00  0.108076D+01  0.260413D+01  0.157759D+01  0.449356D+01
               271           272           273           274           275 
      1  -0.139129D+01 -0.139916D+01 -0.135469D+01 -0.982856D+00 -0.123968D+01
      2  -0.139916D+01 -0.132184D+01 -0.101513D+01 -0.123968D+01 -0.254215D+01
      3  -0.135469D+01 -0.101513D+01 -0.148930D+01 -0.875029D+00 -0.148461D+01
               276           277           278           279 
      1  -0.875029D+00 -0.242762D+01 -0.195830D+01 -0.273291D+01
      2  -0.148461D+01 -0.195830D+01 -0.310124D+01 -0.309544D+01
      3  -0.171415D+01 -0.273291D+01 -0.309544D+01 -0.502060D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.348671D+00  0.471743D+01 -0.309976D+01  0.388699D+01 -0.107337D+01
      2  -0.109178D+02  0.459627D+01  0.363567D+01  0.588257D+01 -0.278822D+01
      3   0.128897D+02  0.134994D+02 -0.181885D+01  0.343639D+02 -0.393061D+00
                 6             7             8             9            10 
      1   0.429097D+01 -0.604724D+00  0.135547D+02 -0.152415D+01 -0.710755D-01
      2  -0.617921D+00  0.415408D+01  0.207070D+01 -0.242829D+01 -0.223949D+01
      3  -0.282774D+01 -0.376102D+01 -0.262874D+01  0.410707D+01 -0.217906D+02
                11            12            13            14            15 
      1   0.334530D+01  0.619062D+01  0.344931D-01  0.674807D-01 -0.219126D+01
      2   0.739593D+00  0.830324D+01  0.123571D+01 -0.258000D+01 -0.509255D+01
      3   0.938081D+00  0.464504D-01 -0.188497D+02 -0.933872D+01  0.305034D+01
                16            17            18            19            20 
      1   0.111725D+02  0.501148D+01 -0.266057D+01 -0.261755D+01 -0.400519D+01
      2  -0.561686D+01 -0.109693D+02  0.179449D+00  0.815735D+01 -0.567833D+01
      3   0.302243D+01  0.178078D+01  0.688199D+00 -0.383913D+02 -0.261168D+02
                21            22            23            24            25 
      1   0.131753D+01 -0.909215D+00  0.212729D+01 -0.426048D+01 -0.677817D+01
      2   0.238625D+01 -0.613401D+01  0.542963D+01  0.614811D+01 -0.170165D+02
      3   0.456769D+01  0.119937D+02  0.719861D+01 -0.286867D+01  0.378245D+01
                26            27            28            29            30 
      1   0.314469D+01  0.767017D+00  0.132722D+01  0.487206D+01 -0.103969D+01
      2   0.177835D+02 -0.234144D+01 -0.135064D+02  0.827302D+01 -0.474361D+01
      3  -0.154893D+01 -0.981123D+01  0.313857D+02  0.388606D+02 -0.620576D+01
                31            32            33            34            35 
      1   0.425112D+01  0.527902D+00  0.156559D+01 -0.536221D+01  0.675187D+01
      2  -0.724901D+01 -0.166879D+01  0.923547D+00 -0.180433D+02  0.185218D+01
      3   0.680765D+02 -0.314588D+02 -0.254961D+01 -0.791937D+01 -0.162911D+01
                36            37            38            39            40 
      1   0.153493D+00 -0.655657D+00  0.288373D+01 -0.104773D+01  0.323075D+01
      2   0.187543D+01  0.118547D+02  0.230594D+01 -0.842992D+00  0.115535D+02
      3   0.752952D+00 -0.163480D+02  0.428501D+02 -0.429084D+01  0.200920D+02
                41            42            43            44            45 
      1  -0.356486D+01 -0.212461D+00 -0.416349D+01  0.818625D+01 -0.591347D+00
      2  -0.506595D+01 -0.248769D+00 -0.213263D+02  0.255367D+01  0.150570D+01
      3  -0.276557D+02  0.118583D+01  0.260865D+01 -0.274359D+01  0.105359D+01
                46            47            48            49            50 
      1   0.193264D+01 -0.516541D+01 -0.550105D+01 -0.972517D+00  0.191721D+01
      2   0.245310D+00 -0.445982D+01 -0.631391D+01 -0.156850D+01  0.192924D+01
      3   0.356891D+02 -0.322638D+02  0.315585D+01 -0.635770D+01  0.308075D+02
                51            52            53            54            55 
      1  -0.310784D+01 -0.719927D+01 -0.171917D+01  0.194542D+01  0.157536D+01
      2  -0.237408D+01 -0.216696D+02 -0.305391D+01  0.432382D+01  0.225763D+01
      3  -0.151624D+01  0.149028D+01  0.188840D+01  0.988503D+01  0.351722D+02
                56            57            58            59            60 
      1  -0.186607D+01 -0.608331D+01 -0.258261D+01  0.144249D+01 -0.446166D+01
      2  -0.556912D+01  0.485919D+00 -0.287806D+01  0.400511D+01 -0.448693D+00
      3  -0.338721D+02  0.189384D+01 -0.606277D+01  0.246888D+02 -0.133081D+01
                61            62            63            64            65 
      1  -0.801783D+01 -0.433793D+01  0.382845D+01  0.175667D+00 -0.163061D+01
      2  -0.165038D+02  0.157209D+00  0.166138D+01 -0.236722D+01  0.133947D+01
      3  -0.147876D+00  0.211645D+01  0.437914D+01 -0.195044D+02  0.515748D+01
                66            67            68            69            70 
      1   0.772616D+01  0.334713D+01 -0.198992D+01 -0.685762D+00  0.142245D+02
      2   0.342350D+01 -0.599661D+01 -0.487497D+00 -0.245938D+01 -0.460516D+01
      3  -0.152922D+01  0.852511D+01  0.299647D+00 -0.151418D+01 -0.206358D+01
                71            72            73            74            75 
      1   0.544229D+01 -0.291858D+01 -0.556407D+01  0.191503D+01 -0.592871D-01
      2  -0.793640D+01  0.195405D+01  0.139151D+02 -0.156234D+01 -0.145619D+00
      3  -0.100241D+01 -0.575579D+01 -0.376756D+02  0.109038D+02  0.808069D+00
                76            77            78            79            80 
      1   0.138012D+01  0.510847D+01  0.475538D+00  0.229183D+01  0.130300D+02
      2   0.223074D+00 -0.196605D+00  0.210446D+01 -0.974875D+01  0.197921D+01
      3   0.325256D+02 -0.108233D+02  0.652911D+00 -0.201925D+01 -0.118282D+01
                81            82            83            84            85 
      1  -0.263806D+01  0.468042D+00 -0.667020D+00  0.114148D+01 -0.131222D+01
      2   0.186012D+01 -0.175580D+02  0.453796D+00  0.178976D+00  0.765095D+01
      3  -0.443659D+01  0.152008D+02 -0.385094D+02  0.392719D+01 -0.960553D+01
                86            87            88            89            90 
      1  -0.869238D+00 -0.138832D+01 -0.382411D+01  0.387972D+01 -0.295211D+00
      2   0.425608D+00  0.199447D+01 -0.179988D+02  0.845844D+01 -0.549852D+00
      3   0.598194D+01 -0.458543D+00  0.311916D+00  0.196772D+01 -0.211398D+01
                91            92            93            94            95 
      1   0.315829D+01  0.201787D+01  0.528217D+00  0.538292D+01 -0.159253D+01
      2  -0.462155D+01  0.387020D+00 -0.190299D+01 -0.458022D+01 -0.493034D+00
      3   0.953245D+01  0.250815D+01  0.117959D+01  0.293001D+02 -0.159764D+02
                96            97            98            99           100 
      1  -0.529519D+01  0.373732D+01  0.222143D+01  0.153646D+01  0.918005D+00
      2  -0.101578D+02 -0.370260D+02 -0.867976D+01 -0.263776D+01  0.444000D+01
      3  -0.264473D+01  0.811717D+01 -0.942200D+00  0.160002D+02 -0.628773D+01
               101           102           103           104           105 
      1  -0.464327D+01  0.343175D+01  0.806769D-01 -0.124996D+01 -0.528952D+01
      2  -0.354736D+01  0.129849D+02 -0.129393D+01 -0.213625D+01 -0.774931D+01
      3  -0.372895D+02  0.221603D+01 -0.260216D+01 -0.798587D+01  0.191498D+01
               106           107           108           109           110 
      1   0.136358D+01 -0.126504D+01  0.188598D+00  0.132685D+01  0.168037D+01
      2  -0.714506D+01  0.253469D+01 -0.456016D+00  0.123348D+01  0.471650D+01
      3   0.563575D+00  0.443198D+01 -0.304130D+01  0.348774D+02  0.442940D+01
               111           112           113           114           115 
      1  -0.127277D+01  0.131416D+01 -0.653902D+00  0.635988D+01 -0.104425D+02
      2  -0.164949D+01  0.609454D+01  0.518127D+01  0.399822D+02 -0.174340D+02
      3  -0.693581D+01  0.199641D+02 -0.258364D+02 -0.715370D+01 -0.625399D+01
               116           117           118           119           120 
      1   0.851257D+01 -0.262076D+01 -0.127092D+01  0.537645D+00  0.170032D+01
      2   0.302441D+02 -0.823101D+01 -0.216682D+01  0.659291D+00  0.160775D+01
      3  -0.532104D+01 -0.310087D+02 -0.371178D+01 -0.427733D+01  0.579173D+00
               121           122           123           124           125 
      1   0.281913D-01 -0.167852D+00 -0.290003D+01 -0.238984D+01  0.122267D+01
      2   0.142769D+00 -0.206947D+00 -0.283119D+01 -0.285226D+01  0.976542D-01
      3  -0.470043D+01  0.128626D+02 -0.213017D+00  0.162868D+01 -0.965152D+00
               126           127           128           129           130 
      1   0.319132D+00  0.142069D+00  0.242382D+00 -0.151427D+01  0.300175D+00
      2   0.629719D+00 -0.883103D+00 -0.105120D+01  0.193595D+01 -0.105069D+01
      3   0.878378D+00 -0.391330D+01 -0.370648D+01  0.742552D+00 -0.228052D+01
               131           132           133           134           135 
      1  -0.221443D+00 -0.375466D+01 -0.208817D+00  0.176944D+01  0.397315D+00
      2  -0.266118D+01  0.354447D+01 -0.172424D+01 -0.147474D+00 -0.338785D+00
      3  -0.188456D+02  0.206687D+01  0.100964D+01  0.222701D+01  0.292516D+00
               136           137           138           139           140 
      1   0.336679D+00  0.210623D+00 -0.149829D+01 -0.274656D-01 -0.521827D+00
      2   0.101332D+01  0.939893D+00  0.177069D+00  0.632657D+00  0.191215D+01
      3   0.833219D+01  0.582069D+01 -0.130240D+01  0.632204D+01  0.187058D+02
               141           142           143           144           145 
      1  -0.419755D+01  0.618286D+00  0.281359D+01  0.161503D+00  0.998764D+00
      2  -0.311556D+00 -0.394689D+00 -0.696755D-01 -0.501748D-01  0.388544D+00
      3  -0.218373D+01 -0.157965D+01 -0.287465D+01 -0.178658D+00  0.572834D+01
               146           147           148           149           150 
      1   0.118380D+01 -0.181442D+01  0.746108D+00  0.275763D+01 -0.517663D+01
      2  -0.121357D-01  0.861951D+00  0.293134D+00 -0.168086D+00  0.125056D+01
      3   0.320166D+01 -0.888244D+00  0.546217D+01  0.387918D+01 -0.645052D+00
               151           152           153           154           155 
      1   0.121850D+01  0.209084D+01  0.302509D+00  0.118284D+00 -0.422516D+00
      2  -0.120107D+01  0.104735D+01 -0.502941D+00 -0.508789D-01 -0.195969D+00
      3  -0.896984D+00 -0.132815D+01 -0.645477D+00 -0.103808D+02  0.152554D+01
               156           157           158           159           160 
      1   0.255185D+01 -0.176534D+01  0.163515D+01 -0.346847D+01 -0.262373D+01
      2   0.184891D+01 -0.836130D+00  0.522803D+00 -0.261314D+01 -0.247604D+01
      3   0.414819D+00  0.359487D+01  0.579070D+00  0.327579D+00  0.144528D+01
               161           162           163           164           165 
      1   0.954567D+00  0.677968D+00 -0.116776D+01 -0.958200D-01 -0.160847D+01
      2  -0.145147D+00  0.326703D+00  0.587160D+00  0.590982D+00  0.426686D+00
      3   0.997008D-01  0.821149D+00  0.280394D+01  0.121592D+01  0.163701D+00
               166           167           168           169           170 
      1  -0.704797D+00 -0.212517D+01 -0.329681D+01 -0.183212D+01  0.180395D+01
      2   0.106302D+01 -0.839874D-02  0.156656D+01 -0.159375D+01 -0.875844D+00
      3   0.452214D+01 -0.475137D+01  0.253170D+00 -0.762484D+00  0.607004D+00
               171           172           173           174           175 
      1  -0.835285D-01  0.127484D+01 -0.859267D+00  0.969387D+00 -0.570539D+00
      2   0.693778D+00  0.204936D+00 -0.460235D+00  0.387880D+01 -0.211985D-02
      3   0.882426D+00  0.822705D+01 -0.670846D+01 -0.961181D+00 -0.267258D+01
               176           177           178           179           180 
      1   0.309980D+01 -0.237856D+01  0.194119D+00  0.121592D+01  0.467482D+00
      2   0.305320D+00 -0.354125D+01  0.279614D+01 -0.168075D+01 -0.602347D+00
      3   0.190943D+02  0.733341D+00 -0.185152D+01  0.142617D+01  0.140859D+01
               181           182           183           184           185 
      1   0.240230D+01 -0.578222D+01 -0.215611D+01 -0.365806D+01  0.729068D+01
      2  -0.132581D+02 -0.195670D+01  0.180770D+02 -0.380743D+01  0.573424D+01
      3  -0.146821D+01 -0.127612D+02  0.168830D+01 -0.119488D+02  0.150078D+02
               186           187           188           189           190 
      1  -0.548700D+01  0.712062D+00 -0.269915D+00 -0.979996D+01 -0.407833D+00
      2   0.174594D+02  0.133884D+02  0.118231D+02  0.930037D+01  0.999381D+01
      3   0.120958D+01  0.679024D+01 -0.164023D+00 -0.137759D+02 -0.986359D+01
               191           192           193           194           195 
      1  -0.670528D+01 -0.348111D+01 -0.801473D+01  0.157765D+01 -0.186748D+01
      2   0.608874D+01  0.582961D+01  0.164319D+02 -0.875381D+00  0.153286D+02
      3  -0.799769D+01 -0.754565D+01 -0.448707D+01 -0.679063D+00  0.517424D+01
               196           197           198           199           200 
      1   0.113886D+01 -0.305767D+00  0.123389D+01 -0.153433D+01 -0.837171D+00
      2  -0.366035D+01  0.919779D+01 -0.118287D+02 -0.414341D+01 -0.833370D+00
      3  -0.693367D+01  0.147241D+02 -0.118706D+02 -0.216208D+02 -0.111437D+02
               201           202           203           204           205 
      1   0.397220D+00 -0.859409D+00 -0.738430D+00 -0.715382D+00  0.159311D+01
      2   0.938199D+01 -0.192696D+01 -0.132024D+01  0.224771D+01  0.895133D+01
      3   0.237494D+01 -0.134069D+02 -0.100137D+02  0.219830D+01  0.292491D+01
               206           207           208           209           210 
      1   0.314507D+00 -0.871069D-01  0.302218D+00  0.103086D+00 -0.118566D+01
      2  -0.100532D+01 -0.213929D+01 -0.652403D+01 -0.977432D+00 -0.294090D+01
      3   0.229273D+01  0.339066D+00  0.249707D+01  0.259646D+01  0.191545D+01
               211           212           213           214           215 
      1   0.409636D+00  0.269469D+00 -0.356379D+01  0.183461D+01  0.231646D+00
      2   0.435580D+01 -0.141663D+02 -0.182550D+02  0.885060D+01 -0.183379D+02
      3  -0.866971D+01  0.263697D+02  0.158974D+02 -0.556959D+01  0.172999D+02
               216           217           218           219           220 
      1  -0.434917D+01  0.591767D+00 -0.268757D+00 -0.868090D-01 -0.150189D+01
      2  -0.249271D+02  0.957009D+01 -0.274371D+01  0.108933D+01 -0.666424D+01
      3   0.195944D+02  0.254590D+01 -0.467846D+00  0.156556D+01 -0.866014D+01
               221           222           223           224           225 
      1   0.186006D+01 -0.399658D+01  0.382236D+01 -0.857292D+00  0.725065D+01
      2   0.104499D+02 -0.157337D+02  0.136093D+02 -0.170595D+02  0.325454D+02
      3   0.179234D+02 -0.107633D+02  0.777271D+01 -0.144088D+02  0.172322D+02
               226           227           228           229           230 
      1   0.143375D+01  0.274215D+01  0.136752D+01  0.188105D+01  0.392513D+01
      2  -0.612746D+01 -0.238079D+01 -0.998624D+01 -0.238877D+01 -0.670957D+01
      3   0.156042D+01  0.216781D+01  0.206316D+00  0.328793D+01  0.342691D+01
               231           232           233           234           235 
      1   0.329729D+01  0.772674D+00  0.602925D+01  0.711736D+01 -0.315194D+01
      2  -0.123097D+02 -0.598199D+01 -0.757392D+01 -0.288543D+02 -0.162446D+01
      3   0.461650D+01 -0.160083D+00  0.394156D+01  0.478858D+01 -0.735844D+01
               236           237           238           239           240 
      1   0.290740D+01  0.112542D+01  0.154051D+01 -0.119381D+02 -0.136018D+01
      2   0.278149D+01 -0.285004D+01  0.269023D+01 -0.588012D+01  0.398115D+01
      3   0.578535D+01 -0.680183D+00  0.511127D+01 -0.218938D+02  0.378191D+01
               241           242           243           244           245 
      1   0.474588D+00  0.776170D+00 -0.202452D+01 -0.190896D+01 -0.275510D+01
      2  -0.190983D+01  0.178662D+01 -0.141970D+01  0.119675D+02  0.461290D+00
      3   0.818512D+00  0.998659D+00 -0.287565D+01 -0.183824D+01 -0.708397D+01
               246           247           248           249           250 
      1  -0.348646D+00 -0.242421D+01 -0.169058D+01  0.854409D-01 -0.397902D+00
      2   0.607590D+01  0.135835D+01 -0.120502D-01 -0.113469D+01  0.227980D+01
      3   0.161096D+01 -0.370960D+01 -0.345207D+01  0.157367D+01 -0.856418D+00
               251           252           253           254           255 
      1   0.980170D+00  0.772262D+00 -0.415760D+01  0.492253D+01  0.233031D+01
      2  -0.647445D+00 -0.144155D+01  0.815156D+01 -0.284437D+01  0.102847D+02
      3   0.120908D+01  0.785074D+00  0.981971D+01 -0.893840D+01  0.475290D+01
               256           257           258           259           260 
      1   0.442109D+01 -0.597276D+01 -0.908106D+00 -0.143364D+01  0.878126D+01
      2  -0.130478D+02  0.794050D+01 -0.127921D+02  0.174571D+02 -0.974529D+01
      3  -0.208915D+01  0.184025D+02 -0.100303D+02 -0.253884D+01 -0.163039D+02
               261           262           263           264           265 
      1  -0.116727D+01  0.482561D+01  0.141835D+01  0.267281D+01 -0.192435D+01
      2   0.321863D+02 -0.544156D+01 -0.601525D+01 -0.420454D+01 -0.214011D+01
      3   0.932691D+01 -0.299798D+01  0.250815D+01  0.335064D+01  0.131199D+01
               266           267           268           269           270 
      1   0.421705D+01 -0.547989D+01  0.266400D+01  0.220737D+01  0.729775D+01
      2  -0.133791D+01 -0.346404D+01 -0.866347D+01 -0.445172D+01 -0.140633D+02
      3  -0.179965D+02  0.244549D+01  0.550686D+01  0.653135D+01  0.228896D+01
               271           272           273           274           275 
      1  -0.452003D+00  0.398344D-02 -0.165319D+01 -0.976440D+00 -0.918198D+00
      2   0.341840D+01  0.341949D+01  0.466251D+01  0.195636D+01  0.492668D+01
      3  -0.347418D+01 -0.413870D+01 -0.248020D+01 -0.219490D+01 -0.776695D+01
               276           277           278           279 
      1  -0.258745D+01 -0.219141D+01 -0.864308D+00 -0.617874D+01
      2   0.560382D+01  0.694943D+01  0.104326D+02  0.177742D+02
      3  -0.438636D+01 -0.447897D+01 -0.104991D+02 -0.999066D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.152980D+03 -0.416779D+02 -0.571709D+01  0.907820D+01 -0.323323D+02
      2  -0.857294D+02  0.260135D+02  0.198124D+01 -0.123051D+02  0.338093D+02
      3  -0.672509D+02  0.156644D+02  0.373586D+01  0.322689D+01 -0.147693D+01
      4  -0.178182D+02  0.336580D+02 -0.865843D+00 -0.311391D+02 -0.628323D+02
      5   0.418808D+00 -0.379480D+00  0.978752D+01  0.748819D+01  0.648922D+01
      6   0.361459D+00  0.152595D+01  0.576578D+01  0.571796D+01 -0.362892D+01
                 6             7             8             9            10 
      1   0.432852D+01 -0.523938D+01  0.868316D+01  0.251252D+02  0.462802D+01
      2  -0.573059D+01  0.491692D+01 -0.720947D+01 -0.236577D+02 -0.346362D+01
      3   0.140207D+01  0.322463D+00 -0.147369D+01 -0.146754D+01 -0.116440D+01
      4   0.909554D+01  0.103161D+02  0.231083D+01 -0.325957D+01  0.352354D+02
      5  -0.178599D+01  0.512721D+02 -0.905390D+01 -0.394514D+01  0.372957D+01
      6  -0.638333D+01  0.308468D+00  0.468455D+01  0.185644D+01 -0.582408D+01
                11            12            13            14            15 
      1   0.625553D+02 -0.450301D+01 -0.766614D+02  0.366059D+02  0.126021D+01
      2  -0.421587D+02  0.526745D+00  0.535750D+02 -0.302596D+02 -0.818166D+00
      3  -0.203966D+02  0.397626D+01  0.230864D+02 -0.634623D+01 -0.442045D+00
      4   0.366120D+02 -0.825539D+01  0.344468D+02  0.291580D+02 -0.891108D+01
      5  -0.951028D+01  0.175539D+02  0.321543D+01 -0.745885D+01 -0.120560D+02
      6   0.280809D+01 -0.123405D+02 -0.636291D+01  0.295271D+01  0.562487D+01
                16            17            18            19            20 
      1   0.119230D+02 -0.127607D+02  0.111494D+01 -0.113649D+03  0.109524D+02
      2  -0.108061D+02  0.994349D+01 -0.733576D+01  0.527831D+02 -0.286405D+01
      3  -0.111690D+01  0.281718D+01  0.622082D+01  0.608661D+02 -0.808832D+01
      4  -0.737487D+01 -0.920895D+01 -0.146429D+02  0.134525D+02 -0.368111D+02
      5   0.269173D+02 -0.164436D+02  0.216625D+01  0.704764D+01  0.701823D+01
      6  -0.159815D+02  0.106406D+02  0.300373D+01  0.524155D+01  0.111837D+01
                21            22            23            24            25 
      1   0.680830D+01  0.907118D+02 -0.142036D+02 -0.624190D+01  0.162206D+01
      2  -0.358068D+01 -0.588012D+02 -0.444609D+01  0.635397D+01  0.129797D+01
      3  -0.322762D+01 -0.319106D+02  0.186497D+02 -0.112066D+00 -0.292003D+01
      4   0.606090D+01 -0.102261D+02  0.243078D+02  0.304065D+01  0.357770D+01
      5   0.261610D+01 -0.243826D+01  0.387300D+01  0.139540D+02  0.578842D+01
      6  -0.877311D+00  0.229466D+01  0.596810D+01  0.737473D+01  0.335673D+01
                26            27            28            29            30 
      1   0.280112D+01 -0.172724D+02  0.899041D+02 -0.570898D+00 -0.920794D+01
      2   0.261416D+01  0.270442D-01 -0.391932D+02 -0.192366D+01  0.328646D+01
      3  -0.541528D+01  0.172454D+02 -0.507108D+02  0.249455D+01  0.592148D+01
      4   0.875535D+01  0.250931D+02 -0.129569D+02  0.677013D+01 -0.650452D+00
      5   0.263271D+02 -0.408933D+01 -0.574491D+01 -0.265021D+01 -0.897357D+01
      6   0.154845D+02 -0.166361D+01 -0.391823D+01  0.130125D+01  0.134084D+01
                31            32            33            34            35 
      1   0.940404D+02 -0.365320D+02 -0.548489D+01 -0.195112D+02  0.302257D+01
      2  -0.451488D+02  0.314927D+02  0.547579D+00  0.881654D+01 -0.269733D+01
      3  -0.488916D+02  0.503938D+01  0.493732D+01  0.106947D+02 -0.325242D+00
      4  -0.191509D+02  0.144519D+02 -0.372144D+00  0.348325D+01 -0.861189D+00
      5   0.430265D+01 -0.257555D+01  0.305726D+00 -0.188138D+00  0.277393D+01
      6  -0.316036D+01  0.409789D+00 -0.308961D+01  0.398739D+01  0.445398D+01
                36            37            38            39            40 
      1  -0.718455D+01 -0.891838D+02  0.529931D+02  0.164038D+00 -0.887801D+02
      2  -0.154203D+01  0.490108D+02 -0.350401D+02 -0.945478D+00  0.480983D+02
      3   0.872659D+01  0.401730D+02 -0.179529D+02  0.781441D+00  0.406818D+02
      4   0.302916D+01  0.538884D+02 -0.249530D+01 -0.332491D+01 -0.743338D+01
      5   0.304098D+01 -0.108444D+01 -0.195218D+01 -0.285632D+00 -0.177464D+01
      6   0.118146D+01 -0.190081D+01 -0.624167D+00  0.189895D+01  0.422675D+01
                41            42            43            44            45 
      1  -0.336937D+00  0.663020D+01  0.155339D+02 -0.675928D+01 -0.116708D+02
      2   0.416241D+01 -0.502569D+01 -0.790641D+01  0.396844D+01 -0.387677D+00
      3  -0.382547D+01 -0.160451D+01 -0.762751D+01  0.279083D+01  0.120585D+02
      4  -0.555301D+01  0.152789D+01 -0.480038D+01  0.112068D+01  0.107350D+01
      5   0.295241D+01  0.525684D+00  0.163162D+00 -0.137176D+01  0.144588D+01
      6  -0.315388D+01 -0.360589D+00  0.218511D+01  0.347769D+01 -0.975892D-01
                46            47            48            49            50 
      1  -0.226912D+01 -0.568728D+02  0.248279D+01  0.232612D+01  0.253621D+02
      2  -0.272563D+01  0.374094D+02  0.201754D+00 -0.569193D+01 -0.255201D+02
      3   0.499475D+01  0.194634D+02 -0.268455D+01  0.336581D+01  0.158022D+00
      4  -0.399303D+02 -0.321400D+02  0.567559D+01  0.326285D+02 -0.154962D+02
      5  -0.185567D+01  0.639576D+01 -0.136890D+02 -0.216419D+01 -0.570054D+00
      6   0.582824D+01  0.212453D+01  0.102503D+02  0.560805D-01  0.612962D+01
                51            52            53            54            55 
      1  -0.532959D+01 -0.247295D+01 -0.266398D+00 -0.222367D+02  0.183930D+02
      2   0.601548D+01  0.260422D+01  0.511980D+01  0.653822D+01 -0.131599D+02
      3  -0.685889D+00 -0.131266D+00 -0.485340D+01  0.156985D+02 -0.523304D+01
      4  -0.156341D+01 -0.511738D+00  0.449492D+01 -0.114137D+02  0.352759D+01
      5  -0.265262D+01 -0.316917D+00 -0.126634D+02  0.752666D+01  0.702612D+01
      6   0.721020D+01  0.113853D+01  0.198264D+02 -0.449097D+01  0.146466D+01
                56            57            58            59            60 
      1  -0.553749D+02 -0.110266D+01  0.133150D+02  0.453729D+01 -0.419755D+01
      2   0.465918D+02  0.707593D+00 -0.135129D+02 -0.150015D+02  0.544515D+01
      3   0.878319D+01  0.395072D+00  0.197893D+00  0.104642D+02 -0.124759D+01
      4  -0.853799D+01  0.131340D+01  0.383083D+01 -0.109977D+02  0.227568D+01
      5   0.412536D+01 -0.153946D+01 -0.203987D+01  0.186119D+01  0.147263D+01
      6   0.739514D+01  0.119747D+02  0.142700D+01  0.792184D+01  0.100489D+02
                61            62            63            64            65 
      1  -0.592564D+01  0.824607D+00 -0.242197D+02 -0.931870D+01  0.734839D+02
      2   0.550590D+01  0.300104D+01  0.134494D+02  0.111681D+01 -0.614806D+02
      3   0.419741D+00 -0.382565D+01  0.107703D+02  0.820189D+01 -0.120033D+02
      4   0.842319D+00  0.539538D+01  0.522366D+01  0.842360D+01 -0.139002D+02
      5   0.505014D+01  0.483433D+00  0.246216D+01 -0.610834D+00 -0.542209D+01
      6   0.563075D+01  0.259456D+02 -0.409527D+01 -0.348300D+01 -0.168361D+01
                66            67            68            69            70 
      1  -0.404877D+01 -0.248096D+02  0.381183D+02 -0.600309D+01  0.100252D+02
      2   0.311037D+01  0.272412D+02 -0.413781D+02  0.287214D+01 -0.767075D+01
      3   0.938402D+00 -0.243158D+01  0.325976D+01  0.313095D+01 -0.235445D+01
      4  -0.391350D+00  0.113573D+02  0.127563D+02 -0.340982D+01 -0.369075D+01
      5   0.832116D+01  0.225813D+01 -0.609483D+01 -0.681450D+01  0.241117D+02
      6  -0.141977D+02 -0.709689D+01  0.112629D+01  0.424874D+01 -0.204618D+02
                71            72            73            74            75 
      1  -0.173920D+02 -0.134488D+02 -0.656061D+01  0.618341D+01  0.699577D+00
      2   0.143891D+02  0.308830D+01 -0.665768D+01 -0.940421D+01  0.274563D+01
      3   0.300289D+01  0.103605D+02  0.132183D+02  0.322080D+01 -0.344521D+01
      4  -0.897586D+00 -0.100520D+02  0.164245D+02  0.102929D+02 -0.213607D+01
      5  -0.720837D+01 -0.780855D+00 -0.854596D+01 -0.125642D+01  0.314447D+01
      6   0.155760D+02  0.661928D+01  0.188119D+01 -0.252682D+01 -0.273121D+01
                76            77            78            79            80 
      1   0.313883D+02 -0.732732D+02  0.441685D+01  0.976753D+01  0.563925D+01
      2  -0.219829D+02  0.722749D+02 -0.601990D+01 -0.162576D+01 -0.701619D+01
      3  -0.940540D+01  0.998330D+00  0.160305D+01 -0.814177D+01  0.137694D+01
      4  -0.393295D+02 -0.388274D+01  0.206531D+01  0.581245D+01 -0.228679D+01
      5   0.553349D+01  0.427153D+01  0.326972D+01  0.280113D+02 -0.226756D+01
      6   0.426545D+01  0.270611D+01 -0.306459D+01 -0.656137D+01  0.446679D+01
                81            82            83            84            85 
      1  -0.309187D+01  0.570288D+02 -0.594330D+02 -0.234746D-01  0.762719D+01
      2  -0.754844D+01 -0.336918D+02  0.460249D+02 -0.222315D+01 -0.167015D+02
      3   0.106403D+02 -0.233369D+02  0.134081D+02  0.224663D+01  0.907428D+01
      4   0.361749D+01 -0.494627D+02 -0.169920D+00  0.452739D+01  0.222339D+02
      5  -0.390810D+01  0.539767D+01  0.417578D+01 -0.313286D+01 -0.320564D+01
      6   0.312685D+01  0.286938D+01  0.289061D+01 -0.229707D+00  0.143377D+01
                86            87            88            89            90 
      1   0.313972D+02 -0.962670D+00 -0.595181D+01  0.606859D+01 -0.816292D+01
      2  -0.352884D+02  0.504415D+01  0.292293D+01  0.557159D+00 -0.672226D+01
      3   0.389124D+01 -0.408148D+01  0.302888D+01 -0.662575D+01  0.148852D+02
      4  -0.483291D+01 -0.299446D+00  0.524228D+01  0.175320D+01  0.334043D+01
      5   0.288981D+00  0.589100D+01  0.293878D+01  0.882241D+01 -0.848424D+00
      6   0.103296D+01  0.372217D+01  0.182133D+01  0.644318D+01 -0.263116D+01
                91            92            93            94            95 
      1   0.203775D+02  0.105771D+02 -0.553448D+01 -0.473834D+00 -0.136534D+02
      2  -0.141217D+02 -0.441777D+01 -0.443200D+01  0.107365D+02  0.246297D+01
      3  -0.625581D+01 -0.615932D+01  0.996648D+01 -0.102627D+02  0.111904D+02
      4  -0.200347D+01 -0.170558D+02 -0.332363D+01 -0.314230D+02  0.319302D+02
      5   0.194392D+01 -0.357855D+01 -0.128381D+02  0.475016D+01  0.588736D+01
      6  -0.433618D+01  0.309531D+01 -0.333094D+01  0.542416D+01 -0.543607D+01
                96            97            98            99           100 
      1  -0.541035D+01 -0.117944D+02 -0.349576D+01 -0.124248D+02 -0.845886D+01
      2  -0.662834D+01  0.105397D+01 -0.418879D+00  0.885497D+01  0.256086D+01
      3   0.120387D+02  0.107404D+02  0.391464D+01  0.356987D+01  0.589800D+01
      4   0.465302D+01 -0.282406D+01  0.946679D+00 -0.250526D+02  0.303502D+02
      5  -0.249955D+02 -0.518752D+02 -0.199492D+02  0.886989D+01 -0.240065D+01
      6  -0.415621D+01 -0.986930D+01 -0.505627D+01  0.341363D+01 -0.529740D+00
               101           102           103           104           105 
      1   0.391675D+02  0.147156D+01  0.398633D+01  0.105452D+02 -0.396624D+01
      2  -0.233590D+02  0.121140D+01  0.140062D+01 -0.424892D+01  0.278196D+01
      3  -0.158085D+02 -0.268296D+01 -0.538696D+01 -0.629625D+01  0.118428D+01
      4   0.376822D+01 -0.557475D+00  0.334401D+02  0.135765D+02 -0.432440D+01
      5  -0.616533D+00  0.245725D+02 -0.550887D+01 -0.281955D+01 -0.137894D+02
      6  -0.213911D+01 -0.640254D+01 -0.161618D+01  0.163140D+00  0.928473D+01
               106           107           108           109           110 
      1   0.154872D+01 -0.420102D+01  0.840926D+00 -0.782648D+02 -0.453749D+02
      2   0.711848D+00  0.338882D+01  0.362918D+00  0.463566D+02  0.234692D+02
      3  -0.226057D+01  0.812202D+00 -0.120384D+01  0.319082D+02  0.219057D+02
      4  -0.499978D+01 -0.600589D+00  0.610998D+01 -0.445679D+02  0.776506D+01
      5   0.730583D+01  0.466510D+01 -0.377870D+01  0.104663D+02  0.948321D+01
      6   0.252875D+01  0.368114D+01 -0.152902D+01  0.264194D+01 -0.168355D+01
               111           112           113           114           115 
      1   0.105181D+02 -0.540388D+02  0.490753D+01  0.195195D+02  0.988851D+01
      2  -0.653293D+01  0.259297D+02 -0.325384D+01 -0.916429D+01 -0.489220D+01
      3  -0.398518D+01  0.281091D+02 -0.165369D+01 -0.103552D+02 -0.499631D+01
      4   0.866821D+01 -0.206580D+02  0.260825D+02  0.102775D+02  0.111690D+02
      5  -0.951758D+01  0.145207D+02  0.990908D+01  0.768456D+02 -0.268926D+02
      6   0.144859D+01  0.688468D+00 -0.530360D+01 -0.212852D+02  0.110953D+02
               116           117           118           119           120 
      1   0.149370D+02  0.326528D+00  0.365559D+02 -0.143565D+02 -0.165396D+01
      2  -0.765291D+01 -0.278673D+01 -0.120318D+02  0.284129D+00  0.836541D+00
      3  -0.728408D+01  0.246020D+01 -0.245242D+02  0.140723D+02  0.817420D+00
      4   0.602714D+01  0.514090D+02 -0.326419D+02  0.264738D+02  0.297302D+00
      5   0.544361D+02 -0.170864D+02 -0.178085D+00 -0.920414D+00  0.312526D+01
      6  -0.164365D+02  0.673196D-01  0.370838D+00  0.517106D-01 -0.182916D+01
               121           122           123           124           125 
      1  -0.171966D+02  0.619934D+01  0.779419D-01 -0.244861D+01  0.446891D+00
      2  -0.344871D+01  0.146443D+02 -0.240108D-02  0.215048D+01 -0.112148D+01
      3   0.206453D+02 -0.208436D+02 -0.755408D-01  0.298136D+00  0.674585D+00
      4   0.386933D+02 -0.435881D+02  0.703981D+00 -0.100225D+01  0.175899D+01
      5  -0.258948D+01  0.290587D+01 -0.466016D+01 -0.152869D+01 -0.119652D+01
      6   0.130531D+01 -0.133172D+01  0.435778D+01  0.892279D+00  0.145936D+01
               126           127           128           129           130 
      1  -0.115442D+01  0.385124D+01  0.812637D+01 -0.639477D+00  0.517583D+01
      2   0.134805D+01  0.363906D+01  0.142126D+01  0.241375D-01  0.775696D+01
      3  -0.193631D+00 -0.749030D+01 -0.954763D+01  0.615340D+00 -0.129328D+02
      4  -0.186639D+01  0.235653D+02  0.230273D+02 -0.373523D+01  0.307045D+02
      5   0.577598D+00 -0.222490D+01 -0.265205D+01  0.390211D+01 -0.297732D+01
      6  -0.498603D+00 -0.165164D+01 -0.198208D+01  0.234785D+01 -0.255351D+01
               131           132           133           134           135 
      1  -0.109079D+02  0.130011D+01 -0.496564D+00  0.102154D+00 -0.823806D+00
      2   0.284433D+02 -0.224966D+01 -0.551220D+00 -0.228232D+01  0.249015D+01
      3  -0.175354D+02  0.949554D+00  0.104778D+01  0.218017D+01 -0.166635D+01
      4   0.537240D+02 -0.670145D+01 -0.496341D+01 -0.758596D+01  0.250083D+01
      5  -0.421785D+01  0.621878D+01  0.267011D+01  0.726320D+00 -0.141613D+01
      6  -0.546077D+01  0.660618D+01  0.300339D+01  0.290927D+01 -0.180447D+01
               136           137           138           139           140 
      1  -0.698215D+01 -0.154786D+02  0.257817D+01 -0.736273D+01 -0.470362D+02
      2   0.736959D+01  0.149798D+02 -0.177500D+01  0.731876D+01  0.568568D+02
      3  -0.387435D+00  0.498817D+00 -0.803170D+00  0.439719D-01 -0.982064D+01
      4  -0.377458D+00  0.487646D+01 -0.289035D-01  0.241091D+01 -0.132277D+02
      5   0.529044D+00  0.444304D+00  0.986190D+00  0.223708D+00  0.386857D+01
      6  -0.140786D+01 -0.288846D+01  0.220612D+01 -0.104810D+01 -0.917126D+01
               141           142           143           144           145 
      1   0.559844D+01  0.171062D+01  0.672800D+01 -0.188721D+01 -0.574352D+01
      2  -0.504703D+01 -0.136698D+01 -0.684322D+01  0.233909D+01  0.957803D+01
      3  -0.551410D+00 -0.343638D+00  0.115222D+00 -0.451882D+00 -0.383451D+01
      4   0.180276D+01  0.211799D+00  0.121411D+01  0.165104D+01  0.785629D+01
      5  -0.182384D+01  0.150203D+01  0.454686D+00 -0.279562D+00  0.112055D+00
      6   0.723817D+01  0.333646D+00  0.316275D+01 -0.175422D+01 -0.105904D+01
               146           147           148           149           150 
      1  -0.108462D+02  0.197526D+01 -0.820337D+01 -0.524619D+02  0.566536D+01
      2   0.165875D+02 -0.203955D+01  0.114335D+02  0.749943D+02 -0.667023D+01
      3  -0.574129D+01  0.642844D-01 -0.323014D+01 -0.225324D+02  0.100487D+01
      4   0.160780D+02 -0.161052D+01  0.961848D+01  0.210956D+02 -0.182571D+01
      5  -0.995085D-01  0.210739D+01 -0.224268D+00  0.113871D+01  0.114348D+01
      6  -0.218571D+01  0.270329D+01 -0.900910D+00 -0.595059D+01  0.817327D+01
               151           152           153           154           155 
      1   0.141476D+01  0.711377D+01 -0.181950D+01  0.238773D+01  0.523985D+01
      2  -0.199803D+01 -0.904785D+01  0.268018D+01  0.103497D+02 -0.159275D+02
      3   0.583263D+00  0.193408D+01 -0.860684D+00 -0.127374D+02  0.106877D+02
      4  -0.122326D+01 -0.358691D+01  0.211393D+01 -0.288293D+02  0.253425D+02
      5  -0.764881D-01  0.192336D+01 -0.875405D+00 -0.148970D+01  0.423145D+00
      6  -0.407865D+00  0.336356D+01 -0.185791D+01  0.247307D+01 -0.208862D+01
               156           157           158           159           160 
      1   0.153686D+00  0.948712D+01 -0.194992D+02 -0.317196D-01 -0.197803D+01
      2  -0.423957D-02 -0.222515D+02  0.365200D+02 -0.222395D-01  0.216436D+01
      3  -0.149446D+00  0.127644D+02 -0.170208D+02  0.539592D-01 -0.186330D+00
      4   0.563561D+00  0.279919D+02 -0.342787D+02  0.278794D+00 -0.451493D+00
      5   0.349200D+01 -0.760162D+00  0.328858D+00 -0.355622D+01 -0.739421D-01
      6  -0.341851D+01 -0.866660D+00  0.214495D+01  0.545646D+01  0.163464D+01
               161           162           163           164           165 
      1   0.155130D+01 -0.996655D-01  0.530492D+01  0.940004D+00  0.359368D+00
      2  -0.212937D+01  0.156768D+01 -0.237960D+01  0.207189D+00  0.237639D+00
      3   0.578064D+00 -0.146802D+01 -0.292533D+01 -0.114719D+01 -0.597007D+00
      4   0.124440D+01 -0.208192D+01  0.810228D+01  0.869451D+01 -0.746934D+00
      5  -0.188562D+01  0.535064D+00 -0.611817D+00 -0.119870D+01  0.298003D+01
      6   0.257338D+01 -0.848293D+00 -0.118826D+01 -0.110203D+01  0.129360D+01
               166           167           168           169           170 
      1  -0.326124D+01 -0.160239D+02  0.260322D+01  0.166855D+01  0.155537D+01
      2   0.523440D+01  0.192200D+02 -0.119357D+01 -0.706463D+00 -0.129977D+01
      3  -0.197317D+01 -0.319611D+01 -0.140965D+01 -0.962088D+00 -0.255610D+00
      4   0.119944D+02  0.168439D+02 -0.190855D+01 -0.297992D+00 -0.142559D+01
      5  -0.193552D+01 -0.142644D+01  0.344125D+01  0.378609D+01  0.994872D+00
      6  -0.279077D+01 -0.613810D+01  0.532895D+01  0.268091D+01  0.285655D+01
               171           172           173           174           175 
      1  -0.182229D+01  0.154269D+02 -0.134941D+02 -0.810494D+00 -0.182182D+02
      2   0.218525D+01 -0.264686D+01  0.398561D+01  0.840442D+00  0.508947D+01
      3  -0.362957D+00 -0.127801D+02  0.950849D+01 -0.299482D-01  0.131287D+02
      4   0.225194D+01 -0.232996D+02  0.196093D+02  0.275102D+01  0.252615D+02
      5   0.102073D+00 -0.385353D+01  0.368231D+01  0.838197D+01  0.620839D+01
      6  -0.101685D+01  0.413714D+01 -0.281300D+01 -0.612392D+00 -0.402947D+01
               176           177           178           179           180 
      1   0.599538D+01  0.570441D+00  0.529431D-01  0.119015D+01  0.336697D+01
      2   0.981483D+01  0.120255D+00  0.961901D+00 -0.129935D+01 -0.157935D+01
      3  -0.158102D+02 -0.690696D+00 -0.101484D+01  0.109202D+00 -0.178762D+01
      4  -0.427056D+02 -0.398162D+01  0.387603D+01 -0.324865D+01 -0.562561D+01
      5  -0.509365D+01 -0.769452D+01  0.115443D+02 -0.503495D+01 -0.309643D+01
      6   0.863718D+01  0.420642D+01 -0.201246D+01  0.578664D+01  0.210102D+01
               181           182           183           184           185 
      1  -0.884575D+02 -0.153223D+02  0.317981D+02 -0.951852D+01  0.232876D+02
      2   0.480952D+02  0.141718D+02 -0.448459D+01  0.419575D+01 -0.167402D+02
      3   0.403624D+02  0.115049D+01 -0.273135D+02  0.532277D+01 -0.654739D+01
      4  -0.179073D+02  0.130932D+02  0.625907D+01  0.190387D+02 -0.177862D+02
      5   0.426187D+02  0.824574D+01  0.125289D+02 -0.141539D+01 -0.563742D+01
      6   0.409879D+01 -0.831151D+01 -0.834805D+00 -0.943522D+01  0.105460D+02
               186           187           188           189           190 
      1   0.172598D+02  0.122003D+02  0.128829D+02  0.243106D+02 -0.162455D+02
      2   0.962344D+01  0.740555D+01  0.511819D+01 -0.176546D+01  0.180053D+02
      3  -0.268832D+02 -0.196058D+02 -0.180011D+02 -0.225451D+02 -0.175978D+01
      4   0.873019D+00 -0.527046D+01  0.129098D+01  0.275749D+02  0.163228D+02
      5   0.326655D+02  0.286796D+02  0.212248D+02 -0.776164D+01 -0.271054D+02
      6   0.223689D+01  0.586316D+01  0.169432D+01 -0.180694D+02  0.525172D+01
               191           192           193           194           195 
      1   0.679353D+01 -0.107214D+02  0.241867D+02  0.186197D+01  0.123773D+02
      2  -0.493489D+01  0.154876D+02 -0.261675D+02 -0.565392D+01 -0.156100D+02
      3  -0.185864D+01 -0.476623D+01  0.198078D+01  0.379196D+01  0.323267D+01
      4   0.897032D+00  0.926399D+01  0.189079D+01 -0.506517D+01 -0.333724D+01
      5   0.977628D+01 -0.115985D+02  0.205858D+02 -0.552996D+01  0.348276D+02
      6  -0.493830D+01  0.589175D+01  0.560818D+00  0.578220D+00 -0.231886D+01
               196           197           198           199           200 
      1  -0.282445D+02  0.103080D+02 -0.561343D+01  0.195498D+03  0.236069D+02
      2   0.227292D+02 -0.104194D+02  0.166601D+02 -0.104009D+03 -0.133330D+02
      3   0.551525D+01  0.111364D+00 -0.110467D+02 -0.914888D+02 -0.102739D+02
      4   0.191839D+02 -0.170384D+02  0.265581D+02  0.227918D+02  0.167516D+02
      5  -0.141509D+02  0.247383D+02 -0.177356D+02 -0.208556D+02 -0.273384D+01
      6   0.964450D+01 -0.537373D+01  0.113438D+02 -0.297985D+00 -0.692902D+00
               201           202           203           204           205 
      1  -0.165588D+02  0.639052D+02  0.225937D+02 -0.634414D+01 -0.205570D+02
      2   0.100181D+02 -0.345004D+02 -0.116294D+02  0.396750D+01  0.126333D+02
      3   0.654069D+01 -0.294048D+02 -0.109644D+02  0.237664D+01  0.792368D+01
      4  -0.234877D+01  0.270988D+02  0.180066D+02 -0.388969D+01 -0.321932D+01
      5   0.190805D+02 -0.740169D+01 -0.409483D+01  0.488629D+01  0.267691D+02
      6  -0.391804D+00 -0.121359D+01 -0.673286D+00  0.201023D+01 -0.323392D+00
               206           207           208           209           210 
      1  -0.367834D+01  0.185481D+02  0.145178D+01 -0.527846D+01 -0.135849D+02
      2   0.235451D+01 -0.111327D+02 -0.102188D+01  0.282399D+01  0.591188D+01
      3   0.132383D+01 -0.741544D+01 -0.429904D+00  0.245447D+01  0.767301D+01
      4  -0.346139D+01 -0.969736D+00 -0.222375D+01 -0.808027D+00  0.152410D+01
      5  -0.106509D+01 -0.597319D+01 -0.109190D+02  0.711194D+00 -0.279768D+01
      6   0.281149D+01 -0.738399D-01  0.295233D+01  0.937528D+00  0.210349D+01
               211           212           213           214           215 
      1  -0.136918D+02  0.195855D+00 -0.197368D+01 -0.286233D+02  0.225032D-01
      2   0.559652D+01  0.621896D+01  0.250109D+01  0.158538D+02  0.536173D+00
      3   0.809525D+01 -0.641482D+01 -0.527418D+00  0.127695D+02 -0.558676D+00
      4   0.261105D+02 -0.425523D+02 -0.284760D+02  0.183882D+02 -0.284894D+02
      5   0.148085D+02 -0.287092D+02 -0.359906D+02  0.285595D+02 -0.347800D+02
      6  -0.680074D+01  0.138244D+02  0.143805D+02 -0.910380D+01  0.144617D+02
               216           217           218           219           220 
      1  -0.152053D+01  0.163100D+02 -0.554725D+01  0.148880D+02 -0.131374D+02
      2  -0.545383D+01 -0.836657D+01  0.240481D+01 -0.693987D+01  0.472448D+01
      3   0.697436D+01 -0.794346D+01  0.314244D+01 -0.794810D+01  0.841292D+01
      4  -0.327785D+02 -0.605485D+01  0.328114D+01 -0.734792D+01  0.246693D+02
      5  -0.474712D+02  0.171345D+02 -0.676357D+01  0.459900D+01 -0.172446D+02
      6   0.158344D+02 -0.407665D+01  0.135574D+01  0.141456D+00  0.463241D+01
               221           222           223           224           225 
      1   0.721431D+01 -0.746034D+01  0.421979D+02 -0.109798D+02  0.102867D+02
      2   0.108912D+01  0.100328D+01 -0.230409D+02  0.373724D+01 -0.998129D+01
      3  -0.830343D+01  0.645706D+01 -0.191571D+02  0.724253D+01 -0.305438D+00
      4  -0.295959D+02  0.202737D+02 -0.243839D+02  0.247482D+02 -0.299359D+02
      5   0.213086D+02 -0.311006D+02  0.380310D+02 -0.326136D+02  0.637226D+02
      6  -0.677035D+01  0.103802D+02 -0.911103D+01  0.108220D+02 -0.136394D+02
               226           227           228           229           230 
      1  -0.117864D+01 -0.373711D+01 -0.195921D+02 -0.598355D+01 -0.113728D+02
      2  -0.364747D+01 -0.547493D+00 -0.924789D+00  0.385028D+01  0.961729D+00
      3   0.482611D+01  0.428460D+01  0.205169D+02  0.213327D+01  0.104111D+02
      4  -0.198739D+01 -0.386317D+01 -0.297605D+01 -0.200755D+01 -0.768212D+01
      5  -0.558875D+01 -0.493508D+00 -0.714197D+01  0.561675D+01 -0.781897D+01
      6   0.180665D+01  0.361095D+01  0.161791D+01  0.130488D+01  0.689969D+01
               231           232           233           234           235 
      1  -0.133555D+02 -0.114221D+02 -0.908862D+01 -0.366276D+02 -0.175652D+00
      2  -0.743878D+01  0.456840D+01 -0.408508D+01 -0.192819D+02  0.275829D+01
      3   0.207943D+02  0.685371D+01  0.131737D+02  0.559094D+02 -0.258264D+01
      4  -0.109659D+02 -0.126606D+01 -0.905676D+01 -0.135751D+02  0.446869D+01
      5  -0.221003D+02  0.667877D+01 -0.992938D+01 -0.446002D+02  0.592456D+00
      6   0.100463D+02  0.697395D+00  0.831429D+01  0.823489D+01 -0.300020D+01
               236           237           238           239           240 
      1   0.106274D+02 -0.586926D+01  0.125914D+02 -0.211142D+02  0.420755D+01
      2  -0.803176D+01 -0.349628D+00 -0.784820D+01  0.228194D+02 -0.493655D+00
      3  -0.259567D+01  0.621889D+01 -0.474315D+01 -0.170524D+01 -0.371389D+01
      4  -0.558461D+01  0.119313D+01  0.360292D+01  0.341077D+02 -0.730087D+01
      5  -0.148575D+01 -0.474639D+01 -0.826138D+01 -0.301568D+01  0.891525D+01
      6   0.563755D+01 -0.253697D+01  0.543343D+00 -0.222053D+02  0.888100D+01
               241           242           243           244           245 
      1   0.543465D+00  0.248305D+01 -0.834683D+01  0.121888D+03  0.114145D+02
      2  -0.211584D+01 -0.762481D+00  0.357291D+01 -0.704066D+02 -0.580006D+01
      3   0.157237D+01 -0.172057D+01  0.477393D+01 -0.514811D+02 -0.561444D+01
      4   0.108219D+01 -0.169261D+01  0.239795D+01  0.260942D+02  0.149272D+02
      5  -0.293428D+01  0.243730D+01  0.210802D+01 -0.685334D+02 -0.841859D+01
      6  -0.865481D+00  0.539818D+01 -0.135432D+01 -0.637323D+01 -0.514018D+01
               246           247           248           249           250 
      1  -0.239697D+02  0.811891D+01  0.857698D+01 -0.292664D+01 -0.806216D+01
      2   0.200327D+02 -0.347941D+01 -0.337838D+01  0.301353D+00  0.979425D+01
      3   0.393698D+01 -0.463949D+01 -0.519860D+01  0.262528D+01 -0.173210D+01
      4  -0.696656D+01  0.172439D+02  0.732802D+01 -0.494056D+01 -0.213085D+01
      5   0.313418D+02 -0.529017D+01 -0.675960D+01  0.357377D-02  0.217436D+02
      6   0.396185D+01 -0.559850D+01 -0.309240D+01  0.320791D+01  0.272541D+01
               251           252           253           254           255 
      1  -0.182180D+01  0.958535D+01  0.699709D+02 -0.223062D+02  0.318795D+02
      2   0.338286D+00 -0.102609D+02 -0.450910D+02  0.132495D+02 -0.236576D+02
      3   0.148352D+01  0.675526D+00 -0.248799D+02  0.905666D+01 -0.822196D+01
      4  -0.191287D+01  0.609663D+00 -0.259829D+02  0.196789D+02 -0.883255D+01
      5   0.116288D+01 -0.126586D+02  0.525226D+02 -0.126811D+02  0.366770D+02
      6   0.186478D+01 -0.241887D+00 -0.758231D+01  0.665947D+01 -0.419504D+01
               256           257           258           259           260 
      1  -0.338460D+02  0.123965D+02 -0.672399D+01  0.391739D+02 -0.562635D+01
      2   0.237217D+02 -0.812193D+01  0.123513D+02 -0.362068D+02  0.112309D+02
      3   0.101243D+02 -0.427454D+01 -0.562732D+01 -0.296707D+01 -0.560456D+01
      4   0.259489D+02 -0.343267D+02  0.233430D+02 -0.150041D+02  0.255360D+02
      5  -0.255110D+02  0.236139D+02 -0.298217D+02  0.614028D+02 -0.254311D+02
      6   0.101343D+02 -0.135941D+02  0.142499D+02 -0.528607D+01  0.151244D+02
               261           262           263           264           265 
      1   0.127411D+02 -0.424901D+01  0.110808D+02  0.573679D-01  0.839432D+01
      2  -0.386385D+02  0.611587D+01 -0.486477D+01  0.338338D+00 -0.356705D-01
      3   0.258974D+02 -0.186686D+01 -0.621600D+01 -0.395706D+00 -0.835865D+01
      4  -0.246647D+02  0.108324D+01 -0.102170D+01 -0.108549D+02  0.110298D+02
      5   0.710563D+02 -0.972740D+01 -0.713339D+01 -0.995008D+01 -0.675794D+01
      6  -0.128848D+02 -0.244567D+01 -0.547599D+01 -0.772409D+01 -0.441378D+01
               266           267           268           269           270 
      1  -0.107905D+02 -0.472141D+01 -0.834901D+01 -0.540880D+01 -0.769622D+01
      2   0.276596D+02  0.403937D+01  0.428118D+01  0.123743D+01  0.623774D+01
      3  -0.168691D+02  0.682039D+00  0.406783D+01  0.417137D+01  0.145848D+01
      4   0.320394D+02 -0.836060D+01 -0.194813D+02 -0.209554D+02 -0.154184D+02
      5  -0.835701D+01 -0.810749D+01 -0.171986D+02 -0.138907D+02 -0.341820D+02
      6   0.521121D+01  0.897780D+00 -0.114969D+02 -0.500442D+01 -0.153350D+02
               271           272           273           274           275 
      1   0.849557D+01  0.621344D+01  0.697375D+01  0.370832D+01 -0.200752D+01
      2  -0.425279D+01 -0.267897D+01 -0.424415D+01  0.256852D+00  0.497685D+01
      3  -0.424278D+01 -0.353447D+01 -0.272960D+01 -0.396517D+01 -0.296933D+01
      4   0.151702D+02  0.134163D+02  0.117832D+02  0.124079D+02  0.197081D+02
      5   0.137434D+02  0.103923D+02  0.149288D+02  0.798852D+01  0.114821D+02
      6   0.769593D+01  0.576382D+01  0.670610D+01  0.582485D+01  0.105855D+02
               276           277           278           279 
      1  -0.129999D+01  0.717018D+01 -0.149987D+01 -0.173266D+01
      2   0.238306D+01 -0.612044D+01  0.132022D+00 -0.593803D+01
      3  -0.108307D+01 -0.104974D+01  0.136785D+01  0.767068D+01
      4   0.123102D+02  0.197107D+02  0.257121D+02  0.267824D+02
      5   0.125835D+02  0.245961D+02  0.243274D+02  0.388261D+02
      6   0.940171D+01  0.126664D+02  0.172135D+02  0.220313D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.128635D+01      0.326958D+01      0.109061D+02
   x          0.785317D+00      0.199608D+01      0.665820D+01
   y         -0.909047D+00     -0.231057D+01     -0.770722D+01
   z          0.460015D+00      0.116924D+01      0.390017D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183740D+03      0.272275D+02      0.302947D+02
   aniso      0.141738D+03      0.210033D+02      0.233694D+02
   xx         0.270360D+03      0.400631D+02      0.445763D+02
   yx        -0.156600D+02     -0.232057D+01     -0.258198D+01
   yy         0.167803D+03      0.248658D+02      0.276669D+02
   zx        -0.741308D+01     -0.109851D+01     -0.122225D+01
   zy        -0.446929D+01     -0.662280D+00     -0.736886D+00
   zz         0.113059D+03      0.167537D+02      0.186410D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.199609D+03      0.295790D+02      0.329111D+02
   aniso      0.152637D+03      0.226184D+02      0.251664D+02
   xx         0.292286D+03      0.433124D+02      0.481915D+02
   yx        -0.192868D+02     -0.285801D+01     -0.317997D+01
   yy         0.182626D+03      0.270623D+02      0.301109D+02
   zx        -0.804738D+01     -0.119250D+01     -0.132683D+01
   zy        -0.507257D+01     -0.751677D+00     -0.836353D+00
   zz         0.123916D+03      0.183624D+02      0.204309D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          4.75335576          1.98501129          3.69511908
     6          3.07281354          0.36052557          4.99247124
     6          4.23262703          2.71515831          1.25347388
     6          2.03700288          1.86505548          0.01517188
     6          0.33123038          0.22805073          1.31453043
     6          0.92371581         -0.48457216          3.81547876
     6          1.44118965          2.56875924         -2.49775421
     6         -0.71048013          1.70551346         -3.64224433
     6         -2.41986490          0.09442741         -2.36014214
     6         -1.87475247         -0.62281730          0.07274424
     6         -4.78465625         -0.80857364         -3.72124387
     8          6.92114707          2.90218532          4.73587398
     6          7.54762394          2.20076193          7.24295826
     1          3.46617440         -0.22304493          6.90735264
     1          5.54144705          3.95678366          0.29000863
     1         -0.35667870         -1.72777059          4.81811904
     1          2.72076872          3.80502658         -3.50908439
     1         -1.12765291          2.25557151         -5.56883230
     1         -3.13045948         -1.88293688          1.08285368
     1         -4.89233576          0.19394207         -5.51621761
     6         -7.21859209         -0.33599156         -2.22564878
     6         -4.45852275         -3.56168229         -4.46035206
     1          9.32653135          3.13960482          7.66225343
     1          7.79904654          0.15657394          7.41879616
     1          6.11147011          2.83171837          8.58919149
     1         -7.41593426          1.68082531         -1.85505838
     1         -7.20189090         -1.32842694         -0.42475833
     1         -8.86788853         -0.97029143         -3.28856086
     8         -3.82441436         -4.29400289         -6.51688590
     8         -4.92369910         -5.16892291         -2.52216892
     1         -4.59302439         -6.85939875         -3.14800340

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.128635D+01      0.326958D+01      0.109061D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.128635D+01      0.326958D+01      0.109061D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183740D+03      0.272275D+02      0.302947D+02
   aniso      0.141738D+03      0.210033D+02      0.233694D+02
   xx         0.202455D+03      0.300008D+02      0.333804D+02
   yx         0.368575D+02      0.546172D+01      0.607698D+01
   yy         0.137206D+03      0.203318D+02      0.226222D+02
   zx         0.607678D+02      0.900485D+01      0.100193D+02
   zy         0.716465D+00      0.106169D+00      0.118129D+00
   zz         0.211560D+03      0.313500D+02      0.348815D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.199609D+03      0.295790D+02      0.329111D+02
   aniso      0.152637D+03      0.226184D+02      0.251664D+02
   xx         0.218662D+03      0.324024D+02      0.360525D+02
   yx         0.380723D+02      0.564173D+01      0.627727D+01
   yy         0.148485D+03      0.220031D+02      0.244818D+02
   zx         0.656788D+02      0.973259D+01      0.108290D+02
   zy         0.326136D+00      0.483284D-01      0.537726D-01
   zz         0.231681D+03      0.343316D+02      0.381990D+02

 ----------------------------------------------------------------------
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 There ain't no surer way to find out whether you
 like people or hate them than to travel with them.
                                     -- Mark Twain
 Job cpu time:       2 days  5 hours 29 minutes 49.5 seconds.
 Elapsed time:       0 days  6 hours 41 minutes 19.6 seconds.
 File lengths (MBytes):  RWF=    750 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Thu Sep 23 19:44:50 2021.
